data_2mws_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 2mws _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.02 -0.363 . . . . 3.12 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -109.78 142.45 41.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.818 -0.174 . . . . 3.09 110.811 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.72 161.46 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.747 -0.464 . . . . 2.25 109.747 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -116.92 120.64 39.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 3.35 111.098 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.84 120.35 62.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.053 -0.521 . . . . 1.65 109.964 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.9 mtpp -106.11 122.01 45.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.063 -0.517 . . . . 2.77 110.308 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -88.4 165.28 15.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 2.45 111.405 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -64.29 -19.04 65.15 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.075 -0.511 . . . . 2.76 111.323 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -6.96 59.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 3.65 111.236 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 46.32 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.873 -0.68 . . . . 2.64 112.412 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 51.9 mtpt . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 110.273 -0.269 . . . . 3.46 110.273 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.871 0.367 . . . . 3.23 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -100.78 127.92 47.03 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.624 -0.509 . . . . 3.12 109.624 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.3 mt -120.94 141.14 50.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.601 -0.272 . . . . 2.27 110.652 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -91.26 114.24 26.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.175 -0.676 . . . . 3.44 109.175 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -134.6 171.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.633 -0.712 . . . . 2.48 110.84 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 56' ' ' LEU . 10.9 mm-40 -122.72 156.58 61.55 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 109.313 -0.625 . . . . 3.35 109.313 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -56.51 -25.23 57.4 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.137 1.891 . . . . 3.65 112.58 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.0 3.97 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.874 0.324 . . . . 3.85 111.874 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.48 146.37 48.63 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.607 0.241 . . . . 3.13 110.486 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.49 150.45 20.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.18 -0.464 . . . . 3.89 110.723 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.95 -43.86 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.27 110.55 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.591 . . . . 4.46 110.625 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 43.8 t30 -67.16 -38.16 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.497 . . . . 3.31 109.659 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.77 -41.02 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 2.57 109.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -61.88 -34.59 76.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.66 -0.7 . . . . 3.96 110.315 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.16 92.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 3.48 110.116 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 35.8 mttt -66.51 -37.79 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.811 -0.631 . . . . 2.67 109.988 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.43 -42.97 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.187 -0.671 . . . . 2.75 109.187 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.83 -38.76 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 4.45 110.941 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.53 -27.39 66.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.061 -0.518 . . . . 4.07 111.998 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -98.74 -48.16 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.948 0.721 . . . . 3.38 112.948 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.4 -34.97 21.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.255 . . . . 3.71 111.69 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.24 -2.41 65.58 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.546 -0.835 . . . . 4.28 112.611 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.17 124.13 87.17 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.621 -0.14 . . . . 3.87 110.621 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.34 138.44 64.79 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.166 2.577 . . . . 4.7 113.164 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.42 -29.44 77.64 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.388 2.725 . . . . 4.24 113.53 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.33 -30.17 70.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 5.06 111.749 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -92.73 0.57 57.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.334 -0.394 . . . . 5.2 110.854 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -93.82 115.72 28.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 3.57 112.335 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -116.38 109.02 16.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.451 -0.944 . . . . 4.19 108.451 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -96.14 131.78 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 2.56 111.871 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.72 129.96 64.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 2.67 110.576 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.4 t80 -122.4 118.69 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 3.1 110.586 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 29.43 17.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.918 -0.583 . . . . 3.28 111.866 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -9.07 78.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.847 -0.692 . . . . 2.98 112.465 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -96.53 131.62 42.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.035 -0.357 . . . . 4.69 110.035 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -79.65 143.19 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.482 -0.327 . . . . 4.93 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.9 mt -105.66 129.9 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 3.38 111.157 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.34 142.45 27.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 5.2 110.388 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -39.41 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 4.45 110.659 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.98 43.55 3.25 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.739 -0.664 . . . . 4.92 113.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 22' ' ' THR . 74.7 mmt-85 -141.47 166.24 25.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.428 -0.582 . . . . 5.94 109.428 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 18.8 p -110.45 170.69 7.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.688 0.28 . . . . 4.3 110.919 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -66.95 -38.77 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 3.35 111.242 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -20.39 65.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 4.33 110.94 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 55' ' ' THR . 17.7 m-20 -66.8 -34.87 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 4.72 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.09 8.5 38.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.761 -0.654 . . . . 4.12 111.098 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 66.24 29.56 9.58 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.942 0.776 . . . . 4.95 111.264 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.41 115.2 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.147 -0.479 . . . . 3.35 109.954 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -105.91 -167.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 4.49 110.582 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -71.35 144.99 49.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 4.78 110.997 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 64.53 30.19 12.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 4.05 111.583 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -78.9 136.31 37.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.02 -0.363 . . . . 2.82 110.02 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -95.39 112.4 24.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.205 0.526 . . . . 2.32 111.065 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -106.8 151.49 25.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.718 -0.673 . . . . 1.87 110.213 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -113.56 127.85 56.23 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.301 -0.629 . . . . 1.57 109.301 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -105.32 108.03 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.9 110.859 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -98.26 136.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.501 -0.772 . . . . 3.13 109.486 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 110.297 -0.26 . . . . 3.76 110.297 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' B' ' 69' ' ' ASP . 33.5 tp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.147 0.498 . . . . 1.18 111.621 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.5 m -104.63 90.5 3.52 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.145 -0.934 . . . . 1.3 110.322 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HD1' ' B' ' 14' ' ' TYR . 5.2 mt -88.89 119.22 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.39 -0.596 . . . . 1.64 109.39 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.37 106.52 9.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.048 0.452 . . . . 1.91 110.791 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -91.83 85.05 5.48 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.581 -0.896 . . . . 1.41 108.581 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 8' ' ' GLU . 3.1 mm-40 -74.85 2.44 10.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 2.53 112.225 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.76 -32.7 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.935 -0.765 . . . . 1.7 108.935 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.65 -6.36 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 2.15 110.36 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.54 31.42 60.82 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.944 -0.571 . . . . 1.46 112.173 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -107.12 120.11 41.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 2.73 111.12 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.08 138.26 30.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.719 -0.845 . . . . 1.77 108.719 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' B' ' 36' ' ' CYS . 13.3 m-85 -105.86 171.04 7.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.883 0.373 . . . . 1.52 111.145 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.71 161.72 48.27 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 1.49 112.404 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.34 112.07 3.44 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.719 2.279 . . . . 1.7 111.847 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -93.1 144.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 1.54 110.199 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -88.5 121.32 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.854 -0.425 . . . . 3.01 109.854 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 m -109.0 161.52 7.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.25 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -135.36 159.23 42.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 1.71 109.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.45 -28.59 63.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.896 0.379 . . . . 1.79 110.721 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.42 -4.64 57.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 2.33 110.609 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 28.0 ttt -79.03 127.83 32.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.014 -0.539 . . . . 1.56 110.038 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.41 146.78 54.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 1.64 111.265 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.479 ' O ' HG12 ' B' ' 29' ' ' ILE . 25.5 tp -64.67 -43.85 92.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.871 -0.604 . . . . 1.71 109.668 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -30.66 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.62 111.719 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.15 -43.02 88.2 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.228 -0.656 . . . . 1.65 109.228 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.48 -42.24 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.43 109.216 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.479 HG12 ' O ' ' B' ' 25' ' ' LEU . 38.2 mm -60.96 -36.88 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.98 110.054 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.78 80.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 1.39 110.037 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.86 -38.19 87.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.289 0.566 . . . . 1.56 109.875 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 5.0 tp -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 1.65 110.936 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 41.1 mt-30 -75.3 -21.12 58.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 1.58 111.658 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.44 -63.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.126 0.417 . . . . 1.55 112.126 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.43 -57.9 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.904 -0.589 . . . . 1.56 112.1 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.65 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.5 t -70.12 -37.35 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.194 -0.457 . . . . 1.21 111.711 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.31 21.49 17.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.881 -0.676 . . . . 1.25 111.708 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 53.7 t80 -65.57 158.31 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.706 -0.479 . . . . 1.05 109.706 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 10.4 t70 -145.45 137.05 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.272 -0.64 . . . . 1.63 109.272 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -88.45 4.96 44.63 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.941 0.348 . . . . 2.14 111.941 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -44.61 2.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.651 0.262 . . . . 1.67 111.539 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -119.87 41.78 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 2.63 111.889 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 1.6 m80 -159.24 151.2 20.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.879 -0.415 . . . . 1.55 109.879 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -116.3 127.13 54.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.152 0.501 . . . . 1.18 109.989 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 34.3 tp -94.79 118.69 32.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.199 -0.455 . . . . 0.79 111.339 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 5.2 m-30 -98.93 109.89 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.177 0.513 . . . . 1.79 109.961 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -97.52 103.78 15.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.774 -0.648 . . . . 2.2 109.915 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 67.22 -78.81 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.687 0.617 . . . . 2.35 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mtm -145.56 18.24 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.728 0.299 . . . . 1.89 110.949 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -138.1 171.0 15.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.395 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.05 142.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.872 0.368 . . . . 2.0 110.867 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.42 89.51 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 1.26 110.062 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.66 162.65 17.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.633 -0.712 . . . . 1.21 111.104 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -60.56 -24.52 65.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.903 0.382 . . . . 1.22 111.325 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -67.34 -27.22 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 2.27 110.01 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -88.99 68.34 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 1.97 110.338 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.9 t -88.98 5.2 45.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.98 -0.554 . . . . 1.51 110.413 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -67.82 146.47 53.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 1.47 110.442 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -77.4 176.63 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.475 -0.329 . . . . 1.19 110.87 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 mt -56.79 -44.93 82.37 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.424 0.527 . . . . 1.58 112.424 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -70.6 -2.99 16.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.023 0.379 . . . . 1.95 112.023 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.05 -33.09 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 1.68 110.951 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -29.54 70.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 1.42 110.009 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.19 47.12 0.77 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.803 -0.713 . . . . 1.34 112.635 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.87 143.73 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.496 -0.557 . . . . 1.92 109.496 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -141.52 -155.68 0.61 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.154 -0.475 . . . . 2.19 110.867 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -24.78 67.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 2.82 111.735 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.95 104.69 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.025 -0.534 . . . . 1.4 110.428 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' B' ' 3' ' ' LEU . 8.7 p-10 -118.69 122.21 41.96 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.57 -0.741 . . . . 2.28 109.596 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.73 140.01 49.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 1.63 111.62 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.83 123.39 37.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.203 -0.908 . . . . 1.23 109.911 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 66.7 mt -106.21 130.25 54.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.046 0.45 . . . . 1.68 110.521 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.65 HG13 ' SG ' ' B' ' 36' ' ' CYS . 33.0 mm -98.98 117.59 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.69 -0.686 . . . . 0.92 110.745 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.592 ' HD3' ' OD1' ' B' ' 79' ' ' ASN . 1.6 mtt180 -142.03 -163.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.199 -0.455 . . . . 2.22 110.478 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.58 -117.87 5.85 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.755 -0.736 . . . . 1.24 112.21 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt 69.02 -99.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 122.996 0.519 . . . . 1.61 111.296 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 45.7 mt -121.08 -80.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.709 -0.223 . . . . 2.3 111.099 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.3 m -79.93 75.94 6.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.212 0.529 . . . . 2.67 111.061 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . 0.592 ' OD1' ' HD3' ' B' ' 74' ' ' ARG . 0.2 OUTLIER -178.5 -45.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.165 -0.925 . . . . 1.77 109.134 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.474 -0.774 . . . . 1.87 110.442 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.71 0.29 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -105.14 138.84 40.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.227 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -129.07 164.8 30.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.5 m-85 -120.84 118.05 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -97.96 121.8 48.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.142 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -98.61 122.86 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.385 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -89.02 169.08 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.67 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.005 0.431 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.988 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -0.49 71.47 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.9 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.601 0.239 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 129.22 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -133.55 139.25 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 111.679 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -91.29 115.84 28.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.29 162.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD13 ' A' ' 56' ' ' LEU . 59.5 mm-40 -117.78 156.48 49.73 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.09 -32.65 87.41 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.356 2.037 . . . . 0.0 112.597 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -91.05 19.97 5.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -91.83 128.41 37.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 152.74 40.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 54' ' ' ARG . 42.3 mm -58.8 -38.23 71.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 110.325 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -59.89 -32.08 70.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.553 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.12 -41.03 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.182 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.9 t -61.38 -45.42 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.272 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 23.1 mtmt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.93 83.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.216 0.532 . . . . 0.0 109.955 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -69.82 -35.3 74.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.824 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 26' ' ' VAL . 61.3 mt -70.46 -37.7 71.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -63.51 -33.38 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.556 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.27 -29.44 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.65 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 111.838 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -80.98 -37.05 29.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.13 0.8 67.64 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.01 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -78.47 126.17 83.43 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 122.897 -0.178 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.1 Cg_exo -50.59 136.75 41.44 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.759 2.306 . . . . 0.0 112.07 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 28.1 Cg_exo -60.98 -19.03 61.07 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.788 2.325 . . . . 0.0 112.676 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.56 -36.32 76.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.801 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.15 9.69 34.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.37 107.85 20.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 111.307 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -107.6 110.85 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.774 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.53 124.64 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 111.388 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.15 132.6 71.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.205 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.23 105.28 7.81 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.803 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.52 38.82 22.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.41 -24.99 13.96 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.13 132.44 45.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -86.96 117.18 25.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.543 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.07 125.36 31.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.07 0.462 . . . . 0.0 111.157 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -103.91 147.06 27.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.99 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 5.0 m-20 -56.74 -37.9 71.65 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 42.23 3.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.165 -0.54 . . . . 0.0 113.395 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -139.51 163.33 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 6.5 p -107.73 173.73 6.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.439 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 18' ' ' GLU . 80.1 mt -71.23 -37.22 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.661 0.267 . . . . 0.0 111.478 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -17.49 63.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -62.01 -36.39 81.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.654 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -103.71 6.54 36.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 67.27 37.43 3.62 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.826 0.704 . . . . 0.0 111.54 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.8 mt -77.47 120.22 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.926 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -108.58 -167.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.696 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -74.02 149.31 41.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.277 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 67.6 14.1 9.46 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.011 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -75.4 140.03 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -103.21 119.85 39.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.703 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.25 149.67 24.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.794 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.83 114.9 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.909 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 tp -100.94 104.48 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.83 146.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.35 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 115.43 22.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.006 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.92 126.22 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.669 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -115.81 123.32 47.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 111.926 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.68 80.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.66 -2.37 35.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.495 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.86 -39.7 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.228 0.537 . . . . 0.0 110.157 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -111.08 -7.32 14.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.155 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.53 11.15 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.591 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.7 120.97 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -99.28 136.84 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.84 153.22 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.701 0.286 . . . . 0.0 110.806 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.6 138.6 48.3 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.424 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.4 135.01 67.88 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.201 2.601 . . . . 0.0 111.815 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.47 141.52 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -89.66 112.67 23.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.615 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.5 m -103.16 164.15 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -135.58 159.18 42.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.66 -20.95 60.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -91.06 -4.69 56.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.0 ttt -80.29 128.67 33.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.63 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 134.72 53.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.455 HD22 ' H ' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -60.51 -30.08 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.48 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.954 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.83 -38.79 89.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.394 0.616 . . . . 0.0 109.547 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -43.78 97.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.712 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' B' ' 33' ' ' GLN . 46.8 mm -64.04 -40.71 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.141 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.68 76.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.23 -42.23 99.12 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.5 -40.16 86.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 43.2 mt-30 -74.26 -35.21 63.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.846 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.54 -31.39 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.79 -59.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.614 ' SG ' HG13 ' B' ' 73' ' ' ILE . 45.6 t -76.92 -14.28 59.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.696 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.69 24.54 58.21 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.05 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 71.3 t80 -66.5 159.25 27.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.795 0.331 . . . . 0.0 110.415 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.02 145.74 25.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -104.04 30.79 4.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.4 -40.28 2.49 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.275 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -138.59 31.01 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 0.0 111.235 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' B' ' 74' ' ' ARG . 0.1 OUTLIER -136.18 147.56 47.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.159 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -112.66 127.56 56.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.475 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 30.6 tp -94.76 120.48 35.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.777 0.322 . . . . 0.0 110.589 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -105.91 112.55 25.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.206 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.67 123.79 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 62.14 -83.32 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 28.0 ttm -149.91 17.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.65 179.5 5.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.488 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -115.49 139.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.758 0.313 . . . . 0.0 110.335 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.46 95.18 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.118 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -85.47 159.7 19.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.437 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -61.14 -28.96 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -72.73 -17.67 61.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -81.89 71.55 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.1 t -92.83 14.81 16.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.306 0.574 . . . . 0.0 109.734 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.19 147.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.209 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.425 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.8 OUTLIER -81.44 175.58 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.952 0.406 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.48 -40.6 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.917 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -71.79 -9.7 58.68 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -104.42 -36.5 7.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.13 -26.62 64.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.559 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.96 17.17 35.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.577 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.26 114.8 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 176.03 6.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.15 0.5 . . . . 0.0 110.958 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -20.15 65.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.722 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.82 19.12 20.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.7 179.38 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.563 0.22 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.84 176.57 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.468 . . . . 0.0 111.697 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.75 126.16 16.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.204 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.67 136.91 52.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.2 0.524 . . . . 0.0 111.985 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.614 HG13 ' SG ' ' B' ' 36' ' ' CYS . 44.6 mm -107.75 112.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.046 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' B' ' 43' ' ' HIS . 62.6 mtp85 -136.62 -172.55 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.566 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 109.4 -132.56 11.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.716 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.6 mmmt 73.43 -100.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.138 0.575 . . . . 0.0 112.229 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.05 -81.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.74 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -90.18 90.19 7.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -169.28 -66.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.616 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.751 0.31 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -106.59 132.92 52.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -121.95 160.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.14 107.6 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.49 125.33 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 94.0 mttt -111.59 125.38 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -91.72 173.4 7.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.76 -28.15 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -7.92 54.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.11 29.02 32.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.735 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 47.4 mtpt . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -81.84 127.65 33.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.747 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.3 144.44 51.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.803 0.335 . . . . 0.0 111.218 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.75 108.01 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 0.0 109.752 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.34 171.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.451 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD13 ' A' ' 56' ' ' LEU . 7.9 mm-40 -127.95 156.64 75.76 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.88 -24.76 40.32 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.403 2.069 . . . . 0.0 112.572 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.51 4.03 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.996 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -88.41 140.29 29.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 155.55 20.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 51.6 mm -59.39 -41.57 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.396 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.93 -38.97 76.88 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.013 0.435 . . . . 0.0 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.51 -36.89 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.936 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.08 -39.46 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.2 mmmm -60.37 -39.65 88.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.926 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.78 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.532 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.39 -39.0 91.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.03 0.443 . . . . 0.0 110.342 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.34 -37.34 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 55.7 tt0 -63.37 -33.52 75.71 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.431 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.21 -46.12 82.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.352 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -84.82 -58.01 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -71.83 -35.44 69.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 83.09 43.97 7.3 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.224 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.0 mt -122.25 128.37 25.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.72 138.84 82.49 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.634 2.222 . . . . 0.0 112.28 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.13 -24.62 74.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.924 2.416 . . . . 0.0 112.903 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -21.53 58.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.122 0.487 . . . . 0.0 111.294 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.47 10.6 40.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.022 0.439 . . . . 0.0 110.013 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -112.71 126.51 55.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.665 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -122.15 102.8 8.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.52 129.83 34.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.59 133.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -129.03 114.39 16.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.29 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.82 47.79 17.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.874 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.71 15.74 75.83 Favored Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.418 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -123.06 121.45 36.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.018 0.409 . . . . 0.0 110.731 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB2' HG13 ' B' ' 13' ' ' ILE . 29.4 tt0 -74.68 135.9 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -94.88 125.75 39.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 27.3 mt-10 -86.65 138.43 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.49 -40.76 62.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.2 36.54 3.18 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.823 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 23.7 mmt180 -130.09 167.33 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.043 0.422 . . . . 0.0 110.164 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.82 159.56 15.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.151 0.501 . . . . 0.0 110.495 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -20.46 62.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.082 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.92 -27.09 63.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 0.0 110.487 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.83 8.26 34.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 62.67 34.45 14.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.606 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -76.17 123.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.98 0.419 . . . . 0.0 110.311 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -111.87 -160.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.247 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -76.98 149.24 35.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.706 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 63.36 31.26 15.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.034 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 m -85.43 129.44 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.221 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.92 115.18 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.32 133.83 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -93.58 119.93 33.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.9 tp -108.05 111.99 24.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.447 . . . . 0.0 111.143 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.46 133.83 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.688 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.267 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 50.8 m -64.14 107.55 1.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.096 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.51 129.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.46 128.75 51.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.17 0.509 . . . . 0.0 111.652 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -95.56 107.26 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -84.06 3.84 32.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.3 -45.76 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.966 0.412 . . . . 0.0 110.338 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -3.53 18.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.471 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 53.07 27.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.843 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -116.43 137.91 51.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.455 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 49' ' ' GLN . 42.9 mm -112.29 120.98 63.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.45 159.26 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.096 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.3 173.14 16.01 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.53 -0.759 . . . . 0.0 114.094 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.33 86.99 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.319 2.68 . . . . 0.0 112.53 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.75 133.0 32.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.157 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -104.34 123.54 47.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -117.34 176.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.77 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.8 t -140.71 153.54 45.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.014 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.81 -18.56 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.046 0.45 . . . . 0.0 110.303 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.53 -0.87 57.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.43 128.61 37.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.736 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.24 136.83 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.275 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.4 pt? -62.05 -27.69 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.707 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.69 95.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.47 -36.84 83.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.056 0.455 . . . . 0.0 109.95 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -41.35 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 25' ' ' LEU . 41.4 mm -61.62 -38.13 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.577 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -51.37 68.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.263 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.23 -38.1 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.272 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 -37.88 89.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.756 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.46 -36.81 68.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.2 -50.69 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.31 -65.25 1.03 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.534 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.4 t -64.19 -38.9 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.601 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.53 31.87 6.57 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.598 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -75.88 154.66 35.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.965 0.412 . . . . 0.0 110.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 14.0 t70 -139.92 137.37 34.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.66 1.4 53.83 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.84 8.99 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.45 34.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.147 0.499 . . . . 0.0 110.951 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.584 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 10.1 m80 -155.24 154.68 32.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.824 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -115.44 112.73 22.73 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.412 0.445 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -84.53 115.66 22.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.843 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -101.74 115.42 30.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.188 0.518 . . . . 0.0 111.078 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 120.74 42.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 64.43 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.5 mtm -144.39 2.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.257 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -124.51 170.43 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.0 110.819 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -93.6 145.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 90.39 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -80.7 160.1 25.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.003 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -25.79 64.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.368 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -71.75 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.483 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -91.08 67.73 5.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.766 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.3 t -87.73 -0.59 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.466 0.65 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.402 ' HB2' ' HB2' ' B' ' 62' ' ' GLU . 1.1 pt20 -64.66 138.8 58.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.371 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 72.8 m -78.29 -179.96 6.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.4 mt -48.81 -51.23 30.5 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -62.23 -21.17 64.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' B' ' 58' ' ' GLN . 6.0 mt-10 -94.81 -36.95 11.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.216 -0.303 . . . . 0.0 111.099 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.56 -26.31 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.31 0.37 31.21 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.678 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.45 147.33 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.809 0.338 . . . . 0.0 110.168 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.526 ' HG2' ' H ' ' B' ' 67' ' ' THR . 0.1 OUTLIER -127.85 -76.14 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.712 -178.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 1.2 m -161.29 -24.15 0.05 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.703 0.287 . . . . 0.0 111.356 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.54 25.67 10.45 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.96 -174.59 4.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.15 168.37 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.833 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -144.37 137.3 27.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mp -117.57 134.2 55.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.398 . . . . 0.0 111.021 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.534 HG13 ' SG ' ' B' ' 36' ' ' CYS . 43.0 mm -105.91 114.68 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.539 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -134.04 -160.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' B' ' 79' ' ' ASN . . . 111.34 -141.96 16.75 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.082 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 29.3 mmmt 67.71 -163.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.909 0.385 . . . . 0.0 110.56 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.86 -57.9 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 84.52 7.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' B' ' 75' ' ' GLY . 6.5 t30 178.28 -70.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.106 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.265 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.8 ptt? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -98.29 134.47 41.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -131.96 164.65 34.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.14 134.84 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.4 t -119.57 112.11 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 4.0 mmtp -90.39 118.61 30.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.741 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -83.12 172.19 12.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.132 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.94 -11.54 60.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.95 -10.33 36.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.305 0.574 . . . . 0.0 110.539 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' B' ' 48' ' ' ASN . . . 100.74 4.93 54.34 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.803 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 71.6 tttt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.41 120.46 35.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.952 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.53 142.94 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.826 0.346 . . . . 0.0 111.517 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -112.43 92.79 4.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 1' ' ' MET . 10.5 m -130.57 163.92 34.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.124 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 56' ' ' LEU . 7.0 mm-40 -107.36 158.77 32.32 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.67 -17.55 36.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 0.0 112.715 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.01 1.43 47.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.825 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.93 148.71 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.08 151.71 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.175 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -59.06 -44.68 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.52 -37.43 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.51 -41.94 92.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.03 -41.65 93.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.006 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.33 -35.35 78.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.7 84.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 0.0 109.935 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.75 -31.72 66.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.76 -38.19 78.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -63.12 -30.03 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.319 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -74.53 -27.35 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.178 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -97.04 -46.86 6.02 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 51.9 mm-40 -92.85 -22.0 19.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.62 26.6 64.91 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.637 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -104.3 123.28 41.11 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 77.4 Cg_exo -50.38 136.33 39.71 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.773 2.316 . . . . 0.0 112.696 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 11.6 Cg_exo -67.8 -5.92 15.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.72 2.28 . . . . 0.0 112.456 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.88 -13.02 46.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -118.62 16.27 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 109.774 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -100.72 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.066 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -109.64 104.75 13.82 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.04 119.46 32.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.16 0.505 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.95 127.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.715 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -115.84 99.14 7.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 49.05 9.08 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.385 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.6 -19.24 25.41 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.561 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -94.12 119.7 33.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.017 0.409 . . . . 0.0 111.215 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -80.38 133.84 35.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.86 149.77 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.544 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -102.32 151.91 21.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.773 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.31 -49.03 78.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.683 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.86 50.52 4.42 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.037 -0.602 . . . . 0.0 113.99 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -138.89 164.66 29.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.05 158.63 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.186 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 18' ' ' GLU . 84.1 mt -59.26 -33.65 71.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.465 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -66.7 -24.58 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.598 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -93.2 14.45 18.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.415 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 60.05 33.68 21.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.823 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -75.56 118.54 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -110.35 -163.13 0.84 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -75.82 151.74 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.32 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 66.74 19.4 10.74 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.817 0.698 . . . . 0.0 111.963 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -80.15 129.08 34.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.779 0.323 . . . . 0.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -104.17 117.27 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.48 160.05 15.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.996 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 122.46 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.757 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -104.69 110.93 23.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.13 153.16 9.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.246 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.134 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' B' ' 16' ' ' PRO . 18.2 tp . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.766 0.317 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -109.72 115.22 29.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.364 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -108.61 130.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -136.09 143.23 44.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -134.71 91.71 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -80.42 12.05 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.05 -31.6 61.33 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.22 3.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.434 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.5 54.23 6.9 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.374 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -108.87 102.05 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.097 0.475 . . . . 0.0 110.831 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mm -90.82 113.03 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.103 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' B' ' 36' ' ' CYS . 28.5 m-85 -91.31 140.58 29.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.28 148.07 51.14 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.939 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' B' ' 3' ' ' LEU . 12.3 Cg_endo -57.11 130.42 39.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.417 2.745 . . . . 0.0 112.4 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.42 146.97 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -101.72 110.88 22.96 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.715 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 m -92.71 179.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.882 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.4 t -146.63 155.68 42.64 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.075 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.52 -12.56 60.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -99.3 4.09 46.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.244 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.0 ttt -89.35 135.66 33.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.03 135.23 44.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' B' ' 26' ' ' THR . 0.6 OUTLIER -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.499 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.401 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -65.64 -34.43 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 8.0 t70 -68.58 -38.84 81.02 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.33 -43.74 93.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.808 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.95 -39.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.797 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.43 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 84.7 mt -60.69 -40.02 90.61 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.376 0.608 . . . . 0.0 109.896 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 4.7 mp -65.82 -41.77 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.25 -19.98 60.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.49 -63.02 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.94 -55.18 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.542 ' SG ' HG13 ' B' ' 73' ' ' ILE . 3.6 t -66.44 -28.41 68.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.493 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.29 21.1 55.7 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.396 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 45.0 t80 -65.74 157.22 30.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.117 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 6.2 t70 -148.67 132.15 16.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.087 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.492 ' HZ3' ' HB3' ' B' ' 40' ' ' LYS . 1.5 mmmp? -84.8 21.69 1.51 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.007 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -117.31 -57.55 2.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -116.58 12.52 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.2 m80 -121.86 147.45 45.97 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.953 -0.467 . . . . 0.0 109.982 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -109.06 136.47 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 44.3 tp -105.91 128.8 54.02 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' B' ' 74' ' ' ARG . 12.1 m-85 -118.66 128.19 54.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.893 0.378 . . . . 0.0 111.595 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.44 109.51 19.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 10' ' ' GLY . 27.3 t-20 65.16 -78.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.747 0.654 . . . . 0.0 111.091 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 8.1 mtm -148.97 21.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -132.68 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.675 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.3 mt -87.45 135.59 25.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.38 94.61 3.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.275 0.56 . . . . 0.0 110.39 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.74 165.76 13.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.203 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.0 -26.08 67.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.675 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.21 -15.24 62.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' B' ' 58' ' ' GLN . 4.0 mtt-85 -96.73 46.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.535 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -79.97 40.13 0.46 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.84 0.829 . . . . 0.0 110.297 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' B' ' 56' ' ' ARG . 29.7 mt-30 -89.14 146.51 24.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.17 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -73.76 169.72 16.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.207 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.25 -29.75 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.374 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -78.65 -5.2 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.343 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.02 -37.96 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.15 -36.62 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.506 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.26 29.61 2.94 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.089 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.36 146.77 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -157.79 -67.7 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 111.227 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -158.48 -45.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.216 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.448 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 12.3 p-10 -89.59 34.18 0.83 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.669 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.54 167.74 10.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.33 152.63 27.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -129.82 131.94 46.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.83 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -116.32 135.68 53.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.508 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.542 HG13 ' SG ' ' B' ' 36' ' ' CYS . 11.2 mm -102.49 124.01 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.351 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.468 ' HB2' ' CE1' ' B' ' 46' ' ' TYR . 44.1 mtp85 -139.35 -159.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 104.83 -133.81 11.73 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.519 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.1 mmmt 71.47 -102.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.056 0.542 . . . . 0.0 111.456 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.2 mt -129.86 -58.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 111.405 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.47 60.06 5.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.721 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -165.68 -58.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.721 -0.657 . . . . 0.0 110.971 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptt? . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -109.6 141.73 41.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -130.75 162.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.397 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.0 m-85 -117.42 134.18 55.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.222 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.83 121.22 67.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.723 0.297 . . . . 0.0 110.579 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -97.04 123.59 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.195 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -92.33 175.76 6.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.94 -8.45 56.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.065 0.46 . . . . 0.0 110.86 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -99.66 -5.32 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.01 45.95 6.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.601 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 110.802 179.584 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.883 0.373 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -98.1 127.53 44.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.984 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -128.11 140.47 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -88.41 113.91 24.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.7 m -138.05 164.37 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.502 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.4 mm-40 -120.73 161.91 37.46 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -36.09 79.7 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.317 2.011 . . . . 0.0 113.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 9.92 20.47 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.5 t0 -75.7 133.9 40.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.794 0.331 . . . . 0.0 110.13 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.46 148.32 31.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 41.9 mm -59.13 -40.93 82.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.461 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.4 -36.59 76.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.625 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 58.1 t30 -66.93 -35.78 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.245 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 30' ' ' ILE . 37.1 t -66.38 -38.44 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 3.3 mmmm -61.32 -37.06 81.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.697 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.39 78.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 49.7 mttt -68.84 -37.69 79.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.087 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.9 mt -68.21 -33.78 62.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 121.354 0.597 . . . . 0.0 109.614 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.5 tt0 -64.46 -31.94 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.302 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -74.22 -35.71 63.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 63.5 mmtt -81.65 -63.31 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.163 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.68 -32.61 31.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 89.88 9.88 65.46 Favored Glycine 0 N--CA 1.458 0.124 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.14 130.41 48.14 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 131.49 46.22 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.595 2.196 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -55.05 -26.71 51.36 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 123.271 2.647 . . . . 0.0 113.1 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.1 65.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.338 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -99.98 -1.32 37.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 80.1 mt-30 -92.2 124.4 36.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.807 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -91.07 126.27 36.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 127.73 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.494 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -131.01 124.06 30.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.505 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.54 39.4 11.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.486 0.491 . . . . 0.0 111.31 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 17.43 72.26 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.315 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -131.08 138.03 49.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.81 0.305 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.46 139.92 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -93.69 143.5 26.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.08 -20.69 65.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.571 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.01 26.61 14.0 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -133.49 171.57 13.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.13 170.02 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.358 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.55 -35.46 80.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -71.82 -12.58 61.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -77.28 -11.44 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.542 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.38 10.34 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.716 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 63.88 32.28 13.39 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.854 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -75.66 128.0 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.48 -165.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.671 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -75.74 148.82 38.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.721 0.296 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 64.81 17.38 10.96 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.432 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -75.69 145.25 41.09 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -109.99 127.58 54.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.251 0.548 . . . . 0.0 111.433 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.42 160.28 15.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -114.45 120.73 41.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -102.67 115.15 30.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 111.661 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.08 133.93 53.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.554 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.323 -0.561 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 tp . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 114.9 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.85 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -103.11 128.17 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -124.38 119.98 30.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.063 0.458 . . . . 0.0 111.687 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . 0.436 ' HA ' ' HB ' ' B' ' 73' ' ' ILE . 47.2 t30 -90.46 100.61 13.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.34 -7.02 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.526 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.67 -42.34 70.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.381 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -5.75 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.26 59.11 2.46 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.859 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -118.11 123.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.458 0.17 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -105.04 123.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -95.67 170.93 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.831 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.91 -169.0 30.19 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.988 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -88.67 102.55 0.41 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.479 2.786 . . . . 0.0 113.506 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 23.4 mt -83.07 118.6 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -81.98 101.04 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -82.59 176.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.465 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t -145.98 148.07 32.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.144 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.2 -7.7 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.499 . . . . 0.0 110.786 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.28 3.96 36.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.03 128.68 37.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.747 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.81 53.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.45 ' O ' HG12 ' B' ' 29' ' ' ILE . 2.6 pt? -60.77 -27.74 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.532 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -33.63 76.18 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.087 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 23.2 t70 -71.79 -37.19 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.0 -41.89 94.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.36 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.45 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.0 mm -66.77 -33.98 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.905 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.82 96.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.935 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 32.0 mt -68.19 -39.83 82.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.77 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 12.5 tp -62.97 -40.09 96.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -75.14 -28.22 60.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.91 -55.35 4.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.28 -56.49 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.479 ' SG ' HG13 ' B' ' 73' ' ' ILE . 50.7 t -66.32 -23.88 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.5 28.25 33.41 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.752 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.502 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 49.1 t80 -73.4 168.22 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -158.74 146.54 17.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -93.82 10.1 34.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -66.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.867 0.365 . . . . 0.0 111.457 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.66 51.52 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.0 110.874 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.36 151.55 26.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -128.21 138.07 52.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.502 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 48.8 tp -112.08 132.94 54.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.861 0.363 . . . . 0.0 110.812 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.76 130.85 53.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.139 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -107.32 109.26 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 65.13 -77.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.609 0.568 . . . . 0.0 110.79 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -145.74 8.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -112.91 165.66 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.441 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.89 140.64 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.193 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -82.26 87.37 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 56' ' ' ARG . 19.6 t70 -73.84 163.03 28.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 47.8 m -62.77 -28.84 70.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.707 0.289 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.13 -6.62 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.062 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 53' ' ' ASP . 16.2 mmt180 -79.11 62.39 3.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -84.53 31.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.907 0.86 . . . . 0.0 110.316 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -98.76 125.0 43.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.959 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.464 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 1.1 m -73.41 178.36 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.541 0.21 . . . . 0.0 111.066 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -46.8 -52.87 13.17 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.464 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -65.31 -24.06 67.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.26 -34.02 22.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.658 0.266 . . . . 0.0 110.541 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.88 -32.17 63.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.485 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.01 12.65 25.31 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.373 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.09 123.71 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.261 -0.47 . . . . 0.0 110.642 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' OD2' ' B' ' 68' ' ' ASP . 0.5 OUTLIER -116.19 -171.59 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.653 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -79.03 10.67 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.498 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 3.2 p30 -132.45 16.02 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.984 0.356 . . . . 0.0 111.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.08 -171.99 3.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.021 0.439 . . . . 0.0 111.794 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.412 ' C ' HD22 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -159.94 157.51 29.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.081 -179.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -120.77 132.21 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.93 122.43 45.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.272 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.479 HG13 ' SG ' ' B' ' 36' ' ' CYS . 12.0 mm -101.47 112.19 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.934 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -138.75 -158.44 0.86 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -135.48 12.28 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.27 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 71.06 -101.39 0.04 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.336 0.654 . . . . 0.0 111.875 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -73.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.584 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 67.62 2.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.425 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -168.41 -66.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.937 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.124 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.699 0.285 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.36 133.88 50.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -127.75 160.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.65 143.08 46.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.563 0.221 . . . . 0.0 110.739 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.13 123.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 110.241 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -96.12 123.48 39.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -88.14 178.07 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.386 0.429 . . . . 0.0 110.526 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.61 8.55 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.304 0.573 . . . . 0.0 110.381 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.1 8.36 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.754 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.3 12.76 83.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.787 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -95.54 127.2 41.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.92 132.05 56.07 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.987 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -88.66 112.13 22.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.01 -177.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.298 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HD13 ' A' ' 56' ' ' LEU . 6.2 mm-40 -142.16 161.26 51.62 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.82 -39.1 68.47 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 113.212 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.74 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -81.82 134.68 35.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.121 0.486 . . . . 0.0 110.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.91 144.18 43.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.818 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.81 -33.91 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.12 -38.6 79.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.226 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.03 -38.59 88.81 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.782 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.7 t -61.77 -43.51 97.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.494 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -61.82 -40.8 96.51 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.01 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.17 85.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.607 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -37.54 87.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.152 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 26' ' ' VAL . 60.8 mt -71.93 -34.02 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -67.12 -34.67 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.939 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.5 -32.48 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -92.35 -54.04 3.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.31 -33.22 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.08 10.72 58.3 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.763 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -88.38 125.57 63.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.51 134.28 50.42 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.559 2.173 . . . . 0.0 112.238 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.14 -29.56 46.4 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.344 2.696 . . . . 0.0 113.401 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.83 -18.95 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.066 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -110.57 20.96 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 110.746 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -119.34 128.61 54.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.035 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -119.76 118.43 30.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.24 116.3 32.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.263 0.554 . . . . 0.0 111.569 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 13.2 mt -109.27 126.16 66.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.143 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -127.94 108.42 10.67 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.03 29.39 16.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.252 0.549 . . . . 0.0 110.5 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' HG3' ' B' ' 16' ' ' PRO . . . 89.67 -6.42 83.06 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.908 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -96.96 132.1 43.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.749 0.309 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.46 125.61 34.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.68 137.18 32.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.594 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 46.2 mt-10 -94.65 142.88 26.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.95 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.06 -37.16 71.42 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.81 21.42 5.56 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.899 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 31.1 mmt180 -121.1 168.69 11.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.299 0.549 . . . . 0.0 109.614 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.45 162.61 14.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.032 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 18' ' ' GLU . 70.3 mt -62.59 -31.97 72.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.149 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -67.99 -23.49 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.581 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.78 -36.22 83.16 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 111.267 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -101.22 11.6 39.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 59.65 35.61 22.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.291 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.83 110.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.097 0.475 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -97.25 -169.92 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.583 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -71.51 158.86 35.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.407 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 61.17 30.08 19.14 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.121 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -96.56 137.65 35.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.049 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -105.12 120.78 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.587 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.19 154.95 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.393 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 5.7 m80 -102.26 112.39 25.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.512 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -93.35 116.65 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.104 0.478 . . . . 0.0 111.145 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.2 139.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 111.277 -179.487 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' B' ' 17' ' ' ILE . 25.3 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.85 126.29 32.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 mt -116.74 130.33 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -116.68 129.82 56.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.199 0.523 . . . . 0.0 111.859 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -99.85 91.34 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 11.47 1.54 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.014 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.65 -66.28 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -21.8 35.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.778 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.12 34.56 8.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -99.76 129.92 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.35 . . . . 0.0 110.67 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.62 120.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.798 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.35 148.93 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -147.69 6.71 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.846 -0.693 . . . . 0.0 114.232 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . 0.4 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 95.4 Cg_endo -80.1 85.75 1.78 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.172 2.581 . . . . 0.0 114.102 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 70.5 mt -78.28 94.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.488 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 3.4 tp10 -66.09 133.12 50.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.215 0.531 . . . . 0.0 111.92 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.21 142.03 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.8 t -98.22 152.66 19.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -70.73 -15.47 62.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.898 0.38 . . . . 0.0 110.291 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.04 0.77 52.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.403 0.621 . . . . 0.0 110.305 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ttt -82.46 133.84 35.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.474 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.02 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -65.48 -32.45 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.181 0.515 . . . . 0.0 109.666 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -37.03 84.35 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.37 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.66 -46.81 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.636 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.98 -43.93 94.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.5 mm -61.65 -39.85 84.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.25 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.941 0.401 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.34 -37.31 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.68 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.91 -35.57 81.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 44.7 mt-30 -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.59 -51.91 3.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.924 0.393 . . . . 0.0 111.103 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' B' ' 73' ' ' ILE . 39.8 t -66.59 -37.25 84.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.578 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.47 29.33 7.1 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -73.4 164.75 26.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 17.6 t70 -156.18 132.88 10.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -76.37 -4.09 40.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -27.56 10.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -140.24 45.02 1.87 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.5 m80 -156.56 148.26 22.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.32 123.71 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.1 tp -96.3 123.13 39.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -105.5 121.84 44.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.311 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.67 94.25 5.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 63.62 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.16 8.63 4.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.279 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.76 146.81 48.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.588 0.232 . . . . 0.0 111.176 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -90.36 132.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.4 101.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -91.9 163.79 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -64.08 -24.34 67.66 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.642 0.377 . . . . 0.0 111.97 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -77.77 -18.27 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.457 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -80.24 78.13 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -95.22 18.04 13.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 110.629 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -74.49 137.9 42.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.408 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.48 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -76.62 179.28 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.288 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.39 -45.78 69.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.48 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -67.44 -29.05 68.42 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.49 -36.03 19.26 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.889 0.376 . . . . 0.0 110.487 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.47 47.62 1.51 Allowed Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.911 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.86 138.94 41.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -55.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.03 4.41 34.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.317 0.579 . . . . 0.0 111.145 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.83 178.84 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.15 172.11 19.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 111.033 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tp -130.29 136.24 48.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.597 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.31 134.93 53.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.878 0.371 . . . . 0.0 111.759 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.609 HG13 ' SG ' ' B' ' 36' ' ' CYS . 27.1 mm -104.18 112.08 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.704 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -132.34 -164.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 110.108 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.46 -123.71 7.78 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.61 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' B' ' 76' ' ' LYS . 27.9 mmmt 66.29 -99.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.075 0.55 . . . . 0.0 110.796 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.1 -52.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.872 0.368 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 61.83 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -171.03 -67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.627 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.8 0.334 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -112.31 134.81 53.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 pt -122.66 155.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.36 137.68 48.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.92 123.12 70.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -99.68 116.82 32.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -87.63 173.87 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 0.0 110.691 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.32 -1.18 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.289 0.566 . . . . 0.0 110.872 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 7.34 28.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.831 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' HA3' ' HB3' ' B' ' 49' ' ' MET . . . 73.92 16.15 79.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.233 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 36.0 ttpt . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.2 pt . . . . . 0 C--O 1.234 0.278 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -115.24 137.48 51.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.599 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -131.76 138.43 48.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -90.76 122.07 33.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.134 0.493 . . . . 0.0 109.91 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.08 167.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.4 mm-40 -118.99 157.69 49.87 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.43 -22.85 44.16 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.302 2.002 . . . . 0.0 113.075 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.5 -2.81 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.731 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -74.83 134.97 41.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.76 159.36 23.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.426 179.157 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.61 -37.99 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.86 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.5 -38.5 91.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.073 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.53 -38.79 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.004 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.66 -37.06 80.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.47 80.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.94 -38.56 72.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.846 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.69 -40.23 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.1 tt0 -67.39 -28.24 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.517 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.54 -42.25 74.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -87.22 -55.3 3.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.034 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 72.6 mm-40 -74.62 -40.56 61.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.687 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.65 7.85 62.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.785 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.47 129.0 54.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.132 0.173 . . . . 0.0 110.712 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 137.57 82.15 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 122.896 2.397 . . . . 0.0 112.425 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.74 -24.58 64.12 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.14 2.56 . . . . 0.0 112.514 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -26.28 65.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.17 9.01 40.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.843 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -100.87 128.46 46.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.563 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.95 105.17 8.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -95.79 122.38 38.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.226 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG12 HG22 ' B' ' 13' ' ' ILE . 3.3 mp -127.91 125.06 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -114.86 112.52 22.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.42 54.42 10.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.63 0.581 . . . . 0.0 111.859 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.47 -8.65 9.31 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.941 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -94.77 120.37 34.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.296 0.548 . . . . 0.0 110.805 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -80.9 122.87 27.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.06 131.43 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.363 . . . . 0.0 111.519 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -89.48 153.54 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.36 -42.92 92.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.464 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 45.16 3.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.646 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -142.1 161.8 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 48.3 p -105.91 162.28 13.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.718 0.294 . . . . 0.0 110.495 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.25 -32.49 73.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.535 . . . . 0.0 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -21.97 61.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -67.52 -28.61 67.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -103.14 16.0 27.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.313 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 60.8 29.68 19.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.706 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -76.2 125.13 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -113.1 -161.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.683 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -82.21 156.59 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.19 24.56 14.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -84.0 145.69 28.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.7 m -107.45 107.78 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 0.0 111.429 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.43 148.55 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.852 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -104.85 125.97 51.43 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.67 114.0 27.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.512 . . . . 0.0 111.668 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -108.04 145.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.003 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 C--N 1.323 -0.582 0 CA-C-O 121.009 0.433 . . . . 0.0 111.129 -179.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 N--CA 1.445 -0.712 0 CA-C-O 120.744 0.307 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 40.4 m -71.73 98.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.47 139.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.808 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -140.35 146.53 38.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -120.16 131.05 54.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.358 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.95 -4.99 38.95 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.93 -45.59 88.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.03 10.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.47 41.1 4.89 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.661 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.63 131.16 52.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.468 . . . . 0.0 111.061 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.486 HG22 HG12 ' A' ' 44' ' ' ILE . 39.8 mm -106.54 120.67 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.304 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -84.4 161.71 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.768 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.47 -176.4 50.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.623 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.19 116.2 3.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.196 2.597 . . . . 0.0 112.943 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.5 104.94 17.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.459 0.647 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -80.62 118.66 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.75 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.23 174.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.902 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -129.83 151.41 50.43 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.01 -15.17 61.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.046 0.451 . . . . 0.0 109.871 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.37 7.33 45.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.919 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.65 130.77 38.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 139.18 58.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.18 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.484 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -66.29 -28.51 68.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -32.95 73.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.39 -38.22 89.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -44.58 89.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.141 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 25' ' ' LEU . 49.7 mm -60.4 -38.26 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.875 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.67 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.87 -36.3 83.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.193 0.52 . . . . 0.0 110.218 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.85 -38.95 90.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 45.8 mt-30 -72.68 -22.27 60.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.38 -59.31 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.342 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.46 -61.88 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.596 ' SG ' HG13 ' B' ' 73' ' ' ILE . 48.1 t -71.03 -36.8 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.483 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.91 32.38 6.85 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.346 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 61.0 t80 -71.6 165.66 23.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.566 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -164.94 149.94 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.98 -1.38 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -83.05 -40.89 19.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.98 30.2 2.25 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.733 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 77.5 m80 -134.95 163.44 29.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -125.35 132.73 52.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.434 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 19.1 tp -101.46 110.32 22.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.484 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -96.76 133.22 41.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -127.27 110.88 13.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.126 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 64.3 -78.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.166 0.587 . . . . 0.0 110.824 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.467 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 23.4 ptm -149.4 13.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.463 . . . . 0.0 110.076 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -125.58 -175.76 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.837 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.32 143.62 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.52 79.3 7.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.278 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.15 158.51 35.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.939 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.6 -25.47 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.347 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -67.29 -21.7 65.68 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.022 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -86.29 88.32 7.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -96.8 24.99 5.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.258 0.551 . . . . 0.0 110.521 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -82.42 149.15 27.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.419 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.495 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.7 OUTLIER -80.91 174.04 12.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -52.97 -47.8 67.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.495 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -69.98 -15.26 63.01 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.92 -10.33 34.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -91.99 -4.46 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.642 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 29.79 42.33 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.956 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.14 157.71 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -161.03 -93.72 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.54 7.28 2.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.84 9.18 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.06 26.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.921 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.47 148.93 26.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.584 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.39 130.74 48.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.314 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.67 130.19 56.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 0.0 111.336 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.596 HG13 ' SG ' ' B' ' 36' ' ' CYS . 41.1 mm -95.98 111.66 26.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.345 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -129.57 -165.24 1.5 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.992 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.41 -136.02 13.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.704 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 67.68 -117.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.125 0.57 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.55 -58.35 2.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 111.283 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.85 78.05 9.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.432 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -175.42 -68.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.147 0.498 . . . . 0.0 111.23 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.71 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -116.1 137.01 52.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.624 0.25 . . . . 0.0 110.663 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -123.77 159.19 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -117.68 114.53 23.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.119 0.485 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -104.39 119.42 53.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.877 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' B' ' 68' ' ' ASP . 76.2 tttt -102.58 124.15 47.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.7 p -86.4 172.43 10.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' HD13 ' B' ' 72' ' ' LEU . 47.7 mt -68.44 -15.96 63.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.57 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.68 0.16 48.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.17 8.95 84.73 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.59 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 122.755 -0.262 . . . . 0.0 110.385 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -97.76 134.97 40.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.5 mt -131.33 134.16 46.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.912 0.387 . . . . 0.0 111.744 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -87.18 108.09 18.76 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -133.5 175.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.3 mm-40 -137.4 160.23 66.28 Favored Pre-proline 0 C--N 1.316 -0.871 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.23 -33.7 56.0 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.676 2.25 . . . . 0.0 113.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.88 -10.06 59.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -65.39 126.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.238 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -78.92 152.47 31.1 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.53 -39.0 51.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 0.0 110.719 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -64.22 -37.95 89.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.152 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -65.42 -37.9 88.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 t -64.09 -42.17 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 44.5 mtmt -63.34 -34.09 76.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.452 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -30.5 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.125 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -75.41 -39.32 59.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.816 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.6 mt -68.18 -39.0 80.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.33 0.586 . . . . 0.0 109.816 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.6 -25.21 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.057 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.3 -46.56 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.957 0.408 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -76.53 -49.13 17.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -85.55 -36.18 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.89 13.31 59.39 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.287 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -89.36 127.47 54.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.59 133.45 56.88 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.422 2.081 . . . . 0.0 112.305 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.8 -25.66 77.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.944 2.43 . . . . 0.0 113.135 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -4.72 52.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.679 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -114.84 10.17 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.052 0.453 . . . . 0.0 109.882 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 79.6 mt-30 -102.09 117.76 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.621 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -111.41 95.75 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.81 128.68 34.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.766 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 mt -123.15 129.93 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.953 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -124.19 113.47 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 42.7 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.335 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' HG3' ' B' ' 16' ' ' PRO . . . 76.82 6.07 84.86 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 114.082 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 139.28 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.387 0.593 . . . . 0.0 110.76 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.09 141.09 32.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.116 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.15 133.81 44.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.458 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.7 mt-10 -80.85 151.28 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.831 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -44.01 94.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.36 45.4 2.6 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.968 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -130.02 161.73 30.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.029 0.414 . . . . 0.0 110.08 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -105.16 164.88 11.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.614 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 18' ' ' GLU . 71.4 mt -65.65 -31.51 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.483 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -67.88 -27.32 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 55' ' ' THR . 10.8 m-20 -59.95 -46.06 90.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -91.47 8.71 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.977 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.7 36.4 19.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.186 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.57 116.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.287 0.565 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -101.63 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -75.92 150.74 37.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 63.85 22.83 13.18 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.868 0.73 . . . . 0.0 111.977 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -76.13 139.83 41.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -97.46 117.11 30.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.597 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.53 148.0 30.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -103.76 118.68 37.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.236 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.77 109.1 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.103 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.05 147.99 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.05 179.729 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.78 127.72 45.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.06 0.457 . . . . 0.0 111.62 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.58 130.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -118.52 126.08 51.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.121 0.486 . . . . 0.0 111.761 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.12 76.71 1.48 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.72 -6.08 7.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.676 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -81.22 -24.77 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.61 -14.64 5.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.734 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.92 17.03 57.15 Favored Glycine 0 CA--C 1.508 -0.378 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.06 103.93 13.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 111.292 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.3 113.43 30.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.407 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -87.55 176.92 7.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.08 -168.67 39.23 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PRO . . . . . 0.49 ' HG3' ' CA ' ' A' ' 47' ' ' GLY . 91.8 Cg_endo -88.15 121.01 1.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.929 2.419 . . . . 0.0 113.059 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.93 139.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -99.87 87.37 3.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.126 0.489 . . . . 0.0 109.82 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.45 -172.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t -151.16 157.97 43.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.4 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.433 ' HB2' ' HB3' ' B' ' 61' ' ' LYS . 16.6 pt-20 -71.36 -18.19 62.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 109.954 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.34 -9.6 49.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.293 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 22.3 ttt -81.1 132.25 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.822 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.31 140.36 55.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.477 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -65.7 -35.03 79.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.693 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.443 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -64.16 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.27 -41.31 81.26 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.976 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 25' ' ' LEU . 50.0 mm -62.43 -38.7 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.922 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.32 86.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.1 mt -62.91 -38.62 91.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.015 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 1.1 tp -66.96 -37.33 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 42.9 mt-30 -71.76 -27.82 63.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.817 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.98 -55.97 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.46 -63.17 1.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.665 ' SG ' HG13 ' B' ' 73' ' ' ILE . 47.6 t -63.31 -32.08 73.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.91 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.25 29.44 11.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.158 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.85 160.79 30.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.983 0.42 . . . . 0.0 110.548 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 21.4 t70 -157.21 146.36 20.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -90.37 -3.96 57.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -17.02 13.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -136.92 21.32 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 3.4 m80 -150.54 141.48 22.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.99 0.424 . . . . 0.0 110.29 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.62 136.76 45.85 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.858 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.62 120.32 41.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.016 0.436 . . . . 0.0 110.162 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 12.1 m-85 -105.51 124.05 48.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -107.75 108.75 20.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.375 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 64.69 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.757 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 60.3 mtm -131.59 -1.9 3.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.903 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.73 -174.24 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.44 153.01 16.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 88.0 7.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.118 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -76.86 160.79 28.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -24.1 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -76.9 -10.22 59.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 0.0 110.552 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -89.3 68.01 7.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.941 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -86.77 9.31 19.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.471 0.653 . . . . 0.0 109.772 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' B' ' 62' ' ' GLU . 8.5 mt-30 -69.41 137.75 53.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.89 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.43 177.43 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.44 -38.67 69.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 22.4 pttm -72.44 -23.59 61.09 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.697 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.425 ' HB2' ' HB3' ' B' ' 58' ' ' GLN . 0.5 OUTLIER -88.7 -39.89 13.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.293 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.54 -41.0 96.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.96 32.61 2.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.054 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.11 114.88 22.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -78.43 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.812 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 95.5 m -150.11 -39.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 7.3 p-10 -80.44 3.65 20.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.136 0.493 . . . . 0.0 111.282 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -78.71 160.82 27.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.897 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.19 159.08 44.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.734 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.61 128.12 42.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 4.9 mp -108.55 139.19 43.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.665 HG13 ' SG ' ' B' ' 36' ' ' CYS . 19.5 mm -106.87 117.77 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -135.46 -161.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.464 ' HA2' ' OG ' ' B' ' 80' ' ' SER . . . 99.21 -137.44 13.26 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.043 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 17.3 mmmt 72.13 -103.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.513 0.725 . . . . 0.0 111.117 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt -127.66 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.151 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.62 69.24 8.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.85 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -170.07 -71.8 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.238 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' SER . . . . . 0.464 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.815 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.02 -0.363 . . . . 3.12 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -109.78 142.45 41.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.818 -0.174 . . . . 3.09 110.811 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.72 161.46 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.747 -0.464 . . . . 2.25 109.747 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -116.92 120.64 39.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 3.35 111.098 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.84 120.35 62.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.053 -0.521 . . . . 1.65 109.964 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.9 mtpp -106.11 122.01 45.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.063 -0.517 . . . . 2.77 110.308 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -88.4 165.28 15.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 2.45 111.405 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -64.29 -19.04 65.15 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.075 -0.511 . . . . 2.76 111.323 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -6.96 59.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 3.65 111.236 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 46.32 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.873 -0.68 . . . . 2.64 112.412 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 51.9 mtpt -120.95 130.7 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.273 -0.269 . . . . 3.46 110.273 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.677 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.21 132.67 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.871 0.367 . . . . 3.23 110.662 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -100.78 127.92 47.03 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.624 -0.509 . . . . 3.12 109.624 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.3 mt -120.94 141.14 50.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.601 -0.272 . . . . 2.27 110.652 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -91.26 114.24 26.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.175 -0.676 . . . . 3.44 109.175 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -134.6 171.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.633 -0.712 . . . . 2.48 110.84 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 56' ' ' LEU . 10.9 mm-40 -122.72 156.58 61.55 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 109.313 -0.625 . . . . 3.35 109.313 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -56.51 -25.23 57.4 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.137 1.891 . . . . 3.65 112.58 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.0 3.97 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.874 0.324 . . . . 3.85 111.874 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.48 146.37 48.63 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.607 0.241 . . . . 3.13 110.486 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.49 150.45 20.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.18 -0.464 . . . . 3.89 110.723 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.95 -43.86 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.27 110.55 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.591 . . . . 4.46 110.625 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 43.8 t30 -67.16 -38.16 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.497 . . . . 3.31 109.659 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.77 -41.02 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 2.57 109.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -61.88 -34.59 76.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.66 -0.7 . . . . 3.96 110.315 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.16 92.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 3.48 110.116 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 35.8 mttt -66.51 -37.79 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.811 -0.631 . . . . 2.67 109.988 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.43 -42.97 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.187 -0.671 . . . . 2.75 109.187 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.83 -38.76 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 4.45 110.941 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.53 -27.39 66.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.061 -0.518 . . . . 4.07 111.998 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -98.74 -48.16 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.948 0.721 . . . . 3.38 112.948 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.4 -34.97 21.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.255 . . . . 3.71 111.69 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.24 -2.41 65.58 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.546 -0.835 . . . . 4.28 112.611 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.17 124.13 87.17 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.621 -0.14 . . . . 3.87 110.621 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.34 138.44 64.79 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.166 2.577 . . . . 4.7 113.164 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.42 -29.44 77.64 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.388 2.725 . . . . 4.24 113.53 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.33 -30.17 70.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 5.06 111.749 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -92.73 0.57 57.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.334 -0.394 . . . . 5.2 110.854 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -93.82 115.72 28.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 3.57 112.335 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -116.38 109.02 16.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.451 -0.944 . . . . 4.19 108.451 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -96.14 131.78 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 2.56 111.871 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.72 129.96 64.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 2.67 110.576 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.4 t80 -122.4 118.69 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 3.1 110.586 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 29.43 17.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.918 -0.583 . . . . 3.28 111.866 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -9.07 78.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.847 -0.692 . . . . 2.98 112.465 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -96.53 131.62 42.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.035 -0.357 . . . . 4.69 110.035 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -79.65 143.19 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.482 -0.327 . . . . 4.93 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.9 mt -105.66 129.9 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 3.38 111.157 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.34 142.45 27.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 5.2 110.388 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -39.41 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 4.45 110.659 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.98 43.55 3.25 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.739 -0.664 . . . . 4.92 113.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 22' ' ' THR . 74.7 mmt-85 -141.47 166.24 25.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.428 -0.582 . . . . 5.94 109.428 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 18.8 p -110.45 170.69 7.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.688 0.28 . . . . 4.3 110.919 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -66.95 -38.77 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 3.35 111.242 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -20.39 65.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 4.33 110.94 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 55' ' ' THR . 17.7 m-20 -66.8 -34.87 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 4.72 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.09 8.5 38.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.761 -0.654 . . . . 4.12 111.098 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 66.24 29.56 9.58 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.942 0.776 . . . . 4.95 111.264 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.41 115.2 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.147 -0.479 . . . . 3.35 109.954 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -105.91 -167.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 4.49 110.582 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -71.35 144.99 49.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 4.78 110.997 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 64.53 30.19 12.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 4.05 111.583 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -78.9 136.31 37.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.02 -0.363 . . . . 2.82 110.02 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -95.39 112.4 24.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.205 0.526 . . . . 2.32 111.065 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -106.8 151.49 25.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.718 -0.673 . . . . 1.87 110.213 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -113.56 127.85 56.23 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.301 -0.629 . . . . 1.57 109.301 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -105.32 108.03 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.9 110.859 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -98.26 136.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.501 -0.772 . . . . 3.13 109.486 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -105.64 119.66 39.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.297 -0.26 . . . . 3.76 110.297 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -75.62 87.61 2.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.373 0.606 . . . . 5.23 110.193 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.92 131.83 35.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.79 . . . . 5.99 110.12 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -27.56 50.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.118 -0.492 . . . . 8.17 110.824 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -114.06 164.51 12.06 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.794 -0.717 . . . . 7.03 111.481 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.631 -1.094 . . . . 9.25 111.927 179.492 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.392 -0.596 . . . . 1.62 109.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' B' ' 69' ' ' ASP . 33.5 tp -58.64 110.93 1.09 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 1.18 111.621 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.5 m -104.63 90.5 3.52 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.145 -0.934 . . . . 1.3 110.322 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HD1' ' B' ' 14' ' ' TYR . 5.2 mt -88.89 119.22 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.39 -0.596 . . . . 1.64 109.39 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.37 106.52 9.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.048 0.452 . . . . 1.91 110.791 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -91.83 85.05 5.48 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.581 -0.896 . . . . 1.41 108.581 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 8' ' ' GLU . 3.1 mm-40 -74.85 2.44 10.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 2.53 112.225 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.76 -32.7 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.935 -0.765 . . . . 1.7 108.935 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.65 -6.36 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 2.15 110.36 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.54 31.42 60.82 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.944 -0.571 . . . . 1.46 112.173 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -107.12 120.11 41.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 2.73 111.12 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.08 138.26 30.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.719 -0.845 . . . . 1.77 108.719 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' B' ' 36' ' ' CYS . 13.3 m-85 -105.86 171.04 7.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.883 0.373 . . . . 1.52 111.145 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.71 161.72 48.27 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 1.49 112.404 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.34 112.07 3.44 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.719 2.279 . . . . 1.7 111.847 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -93.1 144.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 1.54 110.199 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -88.5 121.32 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.854 -0.425 . . . . 3.01 109.854 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 m -109.0 161.52 7.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.25 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -135.36 159.23 42.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 1.71 109.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.45 -28.59 63.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.896 0.379 . . . . 1.79 110.721 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.42 -4.64 57.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 2.33 110.609 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 28.0 ttt -79.03 127.83 32.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.014 -0.539 . . . . 1.56 110.038 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.41 146.78 54.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 1.64 111.265 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.479 ' O ' HG12 ' B' ' 29' ' ' ILE . 25.5 tp -64.67 -43.85 92.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.871 -0.604 . . . . 1.71 109.668 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -30.66 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.62 111.719 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.15 -43.02 88.2 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.228 -0.656 . . . . 1.65 109.228 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.48 -42.24 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.43 109.216 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.479 HG12 ' O ' ' B' ' 25' ' ' LEU . 38.2 mm -60.96 -36.88 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.98 110.054 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.78 80.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 1.39 110.037 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.86 -38.19 87.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.289 0.566 . . . . 1.56 109.875 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 5.0 tp -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 1.65 110.936 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 41.1 mt-30 -75.3 -21.12 58.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 1.58 111.658 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.44 -63.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.126 0.417 . . . . 1.55 112.126 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.43 -57.9 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.904 -0.589 . . . . 1.56 112.1 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.65 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.5 t -70.12 -37.35 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.194 -0.457 . . . . 1.21 111.711 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.31 21.49 17.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.881 -0.676 . . . . 1.25 111.708 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 53.7 t80 -65.57 158.31 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.706 -0.479 . . . . 1.05 109.706 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 10.4 t70 -145.45 137.05 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.272 -0.64 . . . . 1.63 109.272 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -88.45 4.96 44.63 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.941 0.348 . . . . 2.14 111.941 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -44.61 2.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.651 0.262 . . . . 1.67 111.539 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -119.87 41.78 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 2.63 111.889 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 1.6 m80 -159.24 151.2 20.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.879 -0.415 . . . . 1.55 109.879 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -116.3 127.13 54.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.152 0.501 . . . . 1.18 109.989 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 34.3 tp -94.79 118.69 32.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.199 -0.455 . . . . 0.79 111.339 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 5.2 m-30 -98.93 109.89 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.177 0.513 . . . . 1.79 109.961 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -97.52 103.78 15.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.774 -0.648 . . . . 2.2 109.915 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 67.22 -78.81 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.687 0.617 . . . . 2.35 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mtm -145.56 18.24 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.728 0.299 . . . . 1.89 110.949 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -138.1 171.0 15.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.395 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.05 142.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.872 0.368 . . . . 2.0 110.867 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.42 89.51 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 1.26 110.062 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.66 162.65 17.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.633 -0.712 . . . . 1.21 111.104 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -60.56 -24.52 65.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.903 0.382 . . . . 1.22 111.325 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -67.34 -27.22 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 2.27 110.01 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -88.99 68.34 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 1.97 110.338 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.9 t -88.98 5.2 45.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.98 -0.554 . . . . 1.51 110.413 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -67.82 146.47 53.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 1.47 110.442 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -77.4 176.63 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.475 -0.329 . . . . 1.19 110.87 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 mt -56.79 -44.93 82.37 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.424 0.527 . . . . 1.58 112.424 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -70.6 -2.99 16.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.023 0.379 . . . . 1.95 112.023 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.05 -33.09 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 1.68 110.951 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -29.54 70.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 1.42 110.009 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.19 47.12 0.77 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.803 -0.713 . . . . 1.34 112.635 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.87 143.73 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.496 -0.557 . . . . 1.92 109.496 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -141.52 -155.68 0.61 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.154 -0.475 . . . . 2.19 110.867 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -24.78 67.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 2.82 111.735 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.95 104.69 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.025 -0.534 . . . . 1.4 110.428 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' B' ' 3' ' ' LEU . 8.7 p-10 -118.69 122.21 41.96 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.57 -0.741 . . . . 2.28 109.596 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.73 140.01 49.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 1.63 111.62 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.83 123.39 37.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.203 -0.908 . . . . 1.23 109.911 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 66.7 mt -106.21 130.25 54.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.046 0.45 . . . . 1.68 110.521 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.65 HG13 ' SG ' ' B' ' 36' ' ' CYS . 33.0 mm -98.98 117.59 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.69 -0.686 . . . . 0.92 110.745 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.592 ' HD3' ' OD1' ' B' ' 79' ' ' ASN . 1.6 mtt180 -142.03 -163.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.199 -0.455 . . . . 2.22 110.478 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.58 -117.87 5.85 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.755 -0.736 . . . . 1.24 112.21 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt 69.02 -99.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 122.996 0.519 . . . . 1.61 111.296 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 45.7 mt -121.08 -80.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.709 -0.223 . . . . 2.3 111.099 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.3 m -79.93 75.94 6.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.212 0.529 . . . . 2.67 111.061 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . 0.592 ' OD1' ' HD3' ' B' ' 74' ' ' ARG . 0.2 OUTLIER -178.5 -45.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.165 -0.925 . . . . 1.77 109.134 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.474 -0.774 . . . . 1.87 110.442 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.71 0.29 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -105.14 138.84 40.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.227 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -129.07 164.8 30.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.5 m-85 -120.84 118.05 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -97.96 121.8 48.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.142 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -98.61 122.86 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.385 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -89.02 169.08 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.67 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.005 0.431 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.988 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -0.49 71.47 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.21 137.26 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.629 ' CAD' ' CAB' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.1 122.55 52.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.36 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 129.22 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -133.55 139.25 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 111.679 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -91.29 115.84 28.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.29 162.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD13 ' A' ' 56' ' ' LEU . 59.5 mm-40 -117.78 156.48 49.73 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.09 -32.65 87.41 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.356 2.037 . . . . 0.0 112.597 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -91.05 19.97 5.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -91.83 128.41 37.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 152.74 40.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 54' ' ' ARG . 42.3 mm -58.8 -38.23 71.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 110.325 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -59.89 -32.08 70.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.553 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.12 -41.03 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.182 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.9 t -61.38 -45.42 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.272 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 23.1 mtmt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.93 83.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.216 0.532 . . . . 0.0 109.955 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -69.82 -35.3 74.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.824 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 26' ' ' VAL . 61.3 mt -70.46 -37.7 71.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -63.51 -33.38 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.556 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.27 -29.44 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.65 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 111.838 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -80.98 -37.05 29.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.13 0.8 67.64 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.01 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -78.47 126.17 83.43 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 122.897 -0.178 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.1 Cg_exo -50.59 136.75 41.44 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.759 2.306 . . . . 0.0 112.07 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 28.1 Cg_exo -60.98 -19.03 61.07 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.788 2.325 . . . . 0.0 112.676 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.56 -36.32 76.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.801 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.15 9.69 34.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.37 107.85 20.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 111.307 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -107.6 110.85 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.774 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.53 124.64 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 111.388 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.15 132.6 71.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.205 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.23 105.28 7.81 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.803 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.52 38.82 22.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.41 -24.99 13.96 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.13 132.44 45.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -86.96 117.18 25.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.543 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.07 125.36 31.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.07 0.462 . . . . 0.0 111.157 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -103.91 147.06 27.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.99 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 5.0 m-20 -56.74 -37.9 71.65 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 42.23 3.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.165 -0.54 . . . . 0.0 113.395 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -139.51 163.33 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 6.5 p -107.73 173.73 6.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.439 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 18' ' ' GLU . 80.1 mt -71.23 -37.22 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.661 0.267 . . . . 0.0 111.478 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -17.49 63.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -62.01 -36.39 81.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.654 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -103.71 6.54 36.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 67.27 37.43 3.62 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.826 0.704 . . . . 0.0 111.54 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.8 mt -77.47 120.22 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.926 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -108.58 -167.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.696 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -74.02 149.31 41.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.277 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 67.6 14.1 9.46 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.011 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -75.4 140.03 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -103.21 119.85 39.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.703 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.25 149.67 24.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.794 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.83 114.9 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.909 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 tp -100.94 104.48 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.83 146.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.6 mt -99.13 -170.97 2.0 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.35 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 105.84 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.01 133.65 49.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.072 0.463 . . . . 0.0 110.478 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -133.21 12.95 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.31 126.12 7.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.666 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.077 -1.402 . . . . 0.0 111.008 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.4 t0 . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 120.834 0.35 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -100.5 91.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 115.43 22.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.006 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.92 126.22 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.669 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -115.81 123.32 47.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 111.926 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.68 80.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.66 -2.37 35.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.495 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.86 -39.7 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.228 0.537 . . . . 0.0 110.157 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -111.08 -7.32 14.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.155 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.53 11.15 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.591 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.7 120.97 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -99.28 136.84 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.84 153.22 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.701 0.286 . . . . 0.0 110.806 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.6 138.6 48.3 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.424 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.4 135.01 67.88 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.201 2.601 . . . . 0.0 111.815 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.47 141.52 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -89.66 112.67 23.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.615 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.5 m -103.16 164.15 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -135.58 159.18 42.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.66 -20.95 60.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -91.06 -4.69 56.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.0 ttt -80.29 128.67 33.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.63 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 134.72 53.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.455 HD22 ' H ' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -60.51 -30.08 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.48 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.954 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.83 -38.79 89.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.394 0.616 . . . . 0.0 109.547 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -43.78 97.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.712 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' B' ' 33' ' ' GLN . 46.8 mm -64.04 -40.71 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.141 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.68 76.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.23 -42.23 99.12 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.5 -40.16 86.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 43.2 mt-30 -74.26 -35.21 63.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.846 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.54 -31.39 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.79 -59.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.614 ' SG ' HG13 ' B' ' 73' ' ' ILE . 45.6 t -76.92 -14.28 59.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.696 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.69 24.54 58.21 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.05 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 71.3 t80 -66.5 159.25 27.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.795 0.331 . . . . 0.0 110.415 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.02 145.74 25.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -104.04 30.79 4.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.4 -40.28 2.49 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.275 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -138.59 31.01 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 0.0 111.235 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' B' ' 74' ' ' ARG . 0.1 OUTLIER -136.18 147.56 47.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.159 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -112.66 127.56 56.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.475 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 30.6 tp -94.76 120.48 35.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.777 0.322 . . . . 0.0 110.589 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -105.91 112.55 25.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.206 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.67 123.79 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 62.14 -83.32 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 28.0 ttm -149.91 17.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.65 179.5 5.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.488 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -115.49 139.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.758 0.313 . . . . 0.0 110.335 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.46 95.18 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.118 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -85.47 159.7 19.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.437 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -61.14 -28.96 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -72.73 -17.67 61.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -81.89 71.55 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.1 t -92.83 14.81 16.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.306 0.574 . . . . 0.0 109.734 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.19 147.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.209 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.425 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.8 OUTLIER -81.44 175.58 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.952 0.406 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.48 -40.6 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.917 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -71.79 -9.7 58.68 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -104.42 -36.5 7.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.13 -26.62 64.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.559 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.96 17.17 35.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.577 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.26 114.8 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 176.03 6.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.15 0.5 . . . . 0.0 110.958 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -20.15 65.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.722 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.82 19.12 20.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.7 179.38 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.563 0.22 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.84 176.57 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.468 . . . . 0.0 111.697 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.75 126.16 16.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.204 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.67 136.91 52.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.2 0.524 . . . . 0.0 111.985 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.614 HG13 ' SG ' ' B' ' 36' ' ' CYS . 44.6 mm -107.75 112.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.046 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' B' ' 43' ' ' HIS . 62.6 mtp85 -136.62 -172.55 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.566 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 109.4 -132.56 11.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.716 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.6 mmmt 73.43 -100.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.138 0.575 . . . . 0.0 112.229 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.05 -81.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.74 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -90.18 90.19 7.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -169.28 -66.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.616 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.751 0.31 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -106.59 132.92 52.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -121.95 160.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.14 107.6 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.49 125.33 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 94.0 mttt -111.59 125.38 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -91.72 173.4 7.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.76 -28.15 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -7.92 54.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.11 29.02 32.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.735 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 47.4 mtpt -95.38 131.92 40.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.582 ' CAA' ' CAC' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -101.94 112.57 35.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.071 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -81.84 127.65 33.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.747 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.3 144.44 51.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.803 0.335 . . . . 0.0 111.218 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.75 108.01 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 0.0 109.752 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.34 171.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.451 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD13 ' A' ' 56' ' ' LEU . 7.9 mm-40 -127.95 156.64 75.76 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.88 -24.76 40.32 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.403 2.069 . . . . 0.0 112.572 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.51 4.03 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.996 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -88.41 140.29 29.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 155.55 20.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 51.6 mm -59.39 -41.57 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.396 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.93 -38.97 76.88 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.013 0.435 . . . . 0.0 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.51 -36.89 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.936 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.08 -39.46 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.2 mmmm -60.37 -39.65 88.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.926 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.78 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.532 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.39 -39.0 91.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.03 0.443 . . . . 0.0 110.342 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.34 -37.34 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 55.7 tt0 -63.37 -33.52 75.71 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.431 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.21 -46.12 82.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.352 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -84.82 -58.01 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -71.83 -35.44 69.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 83.09 43.97 7.3 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.224 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.0 mt -122.25 128.37 25.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.72 138.84 82.49 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.634 2.222 . . . . 0.0 112.28 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.13 -24.62 74.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.924 2.416 . . . . 0.0 112.903 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -21.53 58.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.122 0.487 . . . . 0.0 111.294 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.47 10.6 40.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.022 0.439 . . . . 0.0 110.013 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -112.71 126.51 55.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.665 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -122.15 102.8 8.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.52 129.83 34.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.59 133.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -129.03 114.39 16.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.29 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.82 47.79 17.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.874 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.71 15.74 75.83 Favored Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.418 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -123.06 121.45 36.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.018 0.409 . . . . 0.0 110.731 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB2' HG13 ' B' ' 13' ' ' ILE . 29.4 tt0 -74.68 135.9 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -94.88 125.75 39.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 27.3 mt-10 -86.65 138.43 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.49 -40.76 62.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.2 36.54 3.18 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.823 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 23.7 mmt180 -130.09 167.33 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.043 0.422 . . . . 0.0 110.164 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.82 159.56 15.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.151 0.501 . . . . 0.0 110.495 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -20.46 62.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.082 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.92 -27.09 63.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 0.0 110.487 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.83 8.26 34.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 62.67 34.45 14.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.606 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -76.17 123.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.98 0.419 . . . . 0.0 110.311 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -111.87 -160.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.247 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -76.98 149.24 35.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.706 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 63.36 31.26 15.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.034 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 m -85.43 129.44 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.221 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.92 115.18 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.32 133.83 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -93.58 119.93 33.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.9 tp -108.05 111.99 24.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.447 . . . . 0.0 111.143 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.46 133.83 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.688 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.42 129.26 37.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -115.92 112.77 22.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.43 166.46 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -109.17 -14.22 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.242 0.544 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.46 128.43 4.49 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.844 -0.976 . . . . 0.0 112.049 -179.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 121.02 0.438 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 13.0 tp -90.39 82.51 5.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 50.8 m -64.14 107.55 1.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.096 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.51 129.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.46 128.75 51.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.17 0.509 . . . . 0.0 111.652 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -95.56 107.26 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -84.06 3.84 32.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.3 -45.76 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.966 0.412 . . . . 0.0 110.338 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -3.53 18.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.471 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 53.07 27.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.843 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -116.43 137.91 51.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.455 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 49' ' ' GLN . 42.9 mm -112.29 120.98 63.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.45 159.26 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.096 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.3 173.14 16.01 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.53 -0.759 . . . . 0.0 114.094 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.33 86.99 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.319 2.68 . . . . 0.0 112.53 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.75 133.0 32.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.157 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -104.34 123.54 47.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -117.34 176.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.77 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.8 t -140.71 153.54 45.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.014 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.81 -18.56 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.046 0.45 . . . . 0.0 110.303 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.53 -0.87 57.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.43 128.61 37.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.736 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.24 136.83 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.275 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.4 pt? -62.05 -27.69 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.707 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.69 95.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.47 -36.84 83.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.056 0.455 . . . . 0.0 109.95 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -41.35 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 25' ' ' LEU . 41.4 mm -61.62 -38.13 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.577 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -51.37 68.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.263 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.23 -38.1 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.272 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 -37.88 89.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.756 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.46 -36.81 68.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.2 -50.69 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.31 -65.25 1.03 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.534 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.4 t -64.19 -38.9 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.601 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.53 31.87 6.57 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.598 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -75.88 154.66 35.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.965 0.412 . . . . 0.0 110.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 14.0 t70 -139.92 137.37 34.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.66 1.4 53.83 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.84 8.99 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.45 34.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.147 0.499 . . . . 0.0 110.951 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.584 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 10.1 m80 -155.24 154.68 32.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.824 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -115.44 112.73 22.73 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.412 0.445 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -84.53 115.66 22.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.843 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -101.74 115.42 30.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.188 0.518 . . . . 0.0 111.078 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 120.74 42.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 64.43 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.5 mtm -144.39 2.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.257 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -124.51 170.43 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.0 110.819 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -93.6 145.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 90.39 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -80.7 160.1 25.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.003 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -25.79 64.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.368 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -71.75 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.483 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -91.08 67.73 5.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.766 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.3 t -87.73 -0.59 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.466 0.65 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.402 ' HB2' ' HB2' ' B' ' 62' ' ' GLU . 1.1 pt20 -64.66 138.8 58.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.371 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 72.8 m -78.29 -179.96 6.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.4 mt -48.81 -51.23 30.5 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -62.23 -21.17 64.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' B' ' 58' ' ' GLN . 6.0 mt-10 -94.81 -36.95 11.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.216 -0.303 . . . . 0.0 111.099 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.56 -26.31 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.31 0.37 31.21 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.678 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.45 147.33 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.809 0.338 . . . . 0.0 110.168 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.526 ' HG2' ' H ' ' B' ' 67' ' ' THR . 0.1 OUTLIER -127.85 -76.14 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.712 -178.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 1.2 m -161.29 -24.15 0.05 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.703 0.287 . . . . 0.0 111.356 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.54 25.67 10.45 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.96 -174.59 4.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.15 168.37 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.833 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -144.37 137.3 27.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mp -117.57 134.2 55.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.398 . . . . 0.0 111.021 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.534 HG13 ' SG ' ' B' ' 36' ' ' CYS . 43.0 mm -105.91 114.68 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.539 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -134.04 -160.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' B' ' 79' ' ' ASN . . . 111.34 -141.96 16.75 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.082 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 29.3 mmmt 67.71 -163.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.909 0.385 . . . . 0.0 110.56 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.86 -57.9 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 84.52 7.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' B' ' 75' ' ' GLY . 6.5 t30 178.28 -70.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.106 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.265 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.8 ptt? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -98.29 134.47 41.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -131.96 164.65 34.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' HB3' ' SG ' ' A' ' 12' ' ' 3X9 . 87.9 m-85 -125.14 134.84 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.4 t -119.57 112.11 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 4.0 mmtp -90.39 118.61 30.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.741 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -83.12 172.19 12.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.132 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.94 -11.54 60.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.95 -10.33 36.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.305 0.574 . . . . 0.0 110.539 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' B' ' 48' ' ' ASN . . . 100.74 4.93 54.34 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.803 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 71.6 tttt -79.3 143.09 35.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.668 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -75.97 131.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.41 120.46 35.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.952 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.53 142.94 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.826 0.346 . . . . 0.0 111.517 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -112.43 92.79 4.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 1' ' ' MET . 10.5 m -130.57 163.92 34.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.124 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 56' ' ' LEU . 7.0 mm-40 -107.36 158.77 32.32 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.67 -17.55 36.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 0.0 112.715 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.01 1.43 47.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.825 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.93 148.71 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.08 151.71 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.175 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -59.06 -44.68 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.52 -37.43 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.51 -41.94 92.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.03 -41.65 93.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.006 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.33 -35.35 78.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.7 84.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 0.0 109.935 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.75 -31.72 66.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.76 -38.19 78.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -63.12 -30.03 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.319 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -74.53 -27.35 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.178 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -97.04 -46.86 6.02 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 51.9 mm-40 -92.85 -22.0 19.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.62 26.6 64.91 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.637 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -104.3 123.28 41.11 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 77.4 Cg_exo -50.38 136.33 39.71 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.773 2.316 . . . . 0.0 112.696 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 11.6 Cg_exo -67.8 -5.92 15.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.72 2.28 . . . . 0.0 112.456 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.88 -13.02 46.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -118.62 16.27 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 109.774 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -100.72 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.066 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -109.64 104.75 13.82 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.04 119.46 32.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.16 0.505 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.95 127.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.715 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -115.84 99.14 7.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 49.05 9.08 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.385 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.6 -19.24 25.41 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.561 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -94.12 119.7 33.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.017 0.409 . . . . 0.0 111.215 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -80.38 133.84 35.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.86 149.77 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.544 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -102.32 151.91 21.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.773 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.31 -49.03 78.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.683 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.86 50.52 4.42 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.037 -0.602 . . . . 0.0 113.99 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -138.89 164.66 29.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.05 158.63 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.186 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 18' ' ' GLU . 84.1 mt -59.26 -33.65 71.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.465 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -66.7 -24.58 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.598 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -93.2 14.45 18.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.415 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 60.05 33.68 21.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.823 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -75.56 118.54 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -110.35 -163.13 0.84 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -75.82 151.74 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.32 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 66.74 19.4 10.74 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.817 0.698 . . . . 0.0 111.963 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -80.15 129.08 34.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.779 0.323 . . . . 0.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -104.17 117.27 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.48 160.05 15.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.996 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 122.46 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.757 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -104.69 110.93 23.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.13 153.16 9.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.246 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.7 -165.02 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.134 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -172.24 65.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.43 126.43 29.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 74' ' ' ARG . 47.2 mtm105 -113.66 126.65 55.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.857 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.11 -155.73 23.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.904 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.331 -1.26 . . . . 0.0 111.657 -179.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t0 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.297 0.57 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' B' ' 16' ' ' PRO . 18.2 tp -71.04 125.89 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -109.72 115.22 29.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.364 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -108.61 130.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -136.09 143.23 44.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -134.71 91.71 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -80.42 12.05 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.05 -31.6 61.33 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.22 3.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.434 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.5 54.23 6.9 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.374 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -108.87 102.05 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.097 0.475 . . . . 0.0 110.831 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mm -90.82 113.03 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.103 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' B' ' 36' ' ' CYS . 28.5 m-85 -91.31 140.58 29.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.28 148.07 51.14 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.939 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' B' ' 3' ' ' LEU . 12.3 Cg_endo -57.11 130.42 39.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.417 2.745 . . . . 0.0 112.4 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.42 146.97 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -101.72 110.88 22.96 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.715 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 m -92.71 179.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.882 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.4 t -146.63 155.68 42.64 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.075 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.52 -12.56 60.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -99.3 4.09 46.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.244 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.0 ttt -89.35 135.66 33.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.03 135.23 44.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' B' ' 26' ' ' THR . 0.6 OUTLIER -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.499 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.401 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -65.64 -34.43 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 8.0 t70 -68.58 -38.84 81.02 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.33 -43.74 93.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.808 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.95 -39.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.797 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.43 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 84.7 mt -60.69 -40.02 90.61 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.376 0.608 . . . . 0.0 109.896 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 4.7 mp -65.82 -41.77 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.25 -19.98 60.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.49 -63.02 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.94 -55.18 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.542 ' SG ' HG13 ' B' ' 73' ' ' ILE . 3.6 t -66.44 -28.41 68.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.493 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.29 21.1 55.7 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.396 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 45.0 t80 -65.74 157.22 30.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.117 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 6.2 t70 -148.67 132.15 16.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.087 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.492 ' HZ3' ' HB3' ' B' ' 40' ' ' LYS . 1.5 mmmp? -84.8 21.69 1.51 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.007 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -117.31 -57.55 2.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -116.58 12.52 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.2 m80 -121.86 147.45 45.97 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.953 -0.467 . . . . 0.0 109.982 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -109.06 136.47 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 44.3 tp -105.91 128.8 54.02 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' B' ' 74' ' ' ARG . 12.1 m-85 -118.66 128.19 54.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.893 0.378 . . . . 0.0 111.595 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.44 109.51 19.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 10' ' ' GLY . 27.3 t-20 65.16 -78.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.747 0.654 . . . . 0.0 111.091 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 8.1 mtm -148.97 21.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -132.68 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.675 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.3 mt -87.45 135.59 25.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.38 94.61 3.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.275 0.56 . . . . 0.0 110.39 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.74 165.76 13.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.203 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.0 -26.08 67.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.675 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.21 -15.24 62.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' B' ' 58' ' ' GLN . 4.0 mtt-85 -96.73 46.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.535 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -79.97 40.13 0.46 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.84 0.829 . . . . 0.0 110.297 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' B' ' 56' ' ' ARG . 29.7 mt-30 -89.14 146.51 24.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.17 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -73.76 169.72 16.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.207 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.25 -29.75 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.374 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -78.65 -5.2 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.343 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.02 -37.96 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.15 -36.62 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.506 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.26 29.61 2.94 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.089 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.36 146.77 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -157.79 -67.7 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 111.227 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -158.48 -45.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.216 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.448 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 12.3 p-10 -89.59 34.18 0.83 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.669 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.54 167.74 10.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.33 152.63 27.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -129.82 131.94 46.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.83 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -116.32 135.68 53.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.508 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.542 HG13 ' SG ' ' B' ' 36' ' ' CYS . 11.2 mm -102.49 124.01 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.351 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.468 ' HB2' ' CE1' ' B' ' 46' ' ' TYR . 44.1 mtp85 -139.35 -159.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 104.83 -133.81 11.73 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.519 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.1 mmmt 71.47 -102.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.056 0.542 . . . . 0.0 111.456 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.2 mt -129.86 -58.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 111.405 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.47 60.06 5.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.721 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -165.68 -58.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.721 -0.657 . . . . 0.0 110.971 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptt? . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -109.6 141.73 41.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -130.75 162.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.397 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.0 m-85 -117.42 134.18 55.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.222 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.83 121.22 67.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.723 0.297 . . . . 0.0 110.579 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -97.04 123.59 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.195 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -92.33 175.76 6.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.94 -8.45 56.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.065 0.46 . . . . 0.0 110.86 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -99.66 -5.32 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.01 45.95 6.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.601 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -103.66 153.6 20.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 110.802 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.629 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -95.65 121.99 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.883 0.373 . . . . 0.0 111.494 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -98.1 127.53 44.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.984 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -128.11 140.47 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -88.41 113.91 24.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.7 m -138.05 164.37 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.502 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.4 mm-40 -120.73 161.91 37.46 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -36.09 79.7 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.317 2.011 . . . . 0.0 113.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 9.92 20.47 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.5 t0 -75.7 133.9 40.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.794 0.331 . . . . 0.0 110.13 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.46 148.32 31.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 41.9 mm -59.13 -40.93 82.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.461 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.4 -36.59 76.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.625 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 58.1 t30 -66.93 -35.78 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.245 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 30' ' ' ILE . 37.1 t -66.38 -38.44 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 3.3 mmmm -61.32 -37.06 81.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.697 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.39 78.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 49.7 mttt -68.84 -37.69 79.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.087 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.9 mt -68.21 -33.78 62.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 121.354 0.597 . . . . 0.0 109.614 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.5 tt0 -64.46 -31.94 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.302 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -74.22 -35.71 63.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 63.5 mmtt -81.65 -63.31 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.163 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.68 -32.61 31.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 89.88 9.88 65.46 Favored Glycine 0 N--CA 1.458 0.124 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.14 130.41 48.14 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 131.49 46.22 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.595 2.196 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -55.05 -26.71 51.36 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 123.271 2.647 . . . . 0.0 113.1 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.1 65.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.338 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -99.98 -1.32 37.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 80.1 mt-30 -92.2 124.4 36.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.807 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -91.07 126.27 36.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 127.73 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.494 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -131.01 124.06 30.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.505 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.54 39.4 11.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.486 0.491 . . . . 0.0 111.31 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 17.43 72.26 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.315 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -131.08 138.03 49.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.81 0.305 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.46 139.92 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -93.69 143.5 26.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.08 -20.69 65.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.571 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.01 26.61 14.0 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -133.49 171.57 13.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.13 170.02 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.358 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.55 -35.46 80.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -71.82 -12.58 61.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -77.28 -11.44 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.542 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.38 10.34 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.716 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 63.88 32.28 13.39 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.854 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -75.66 128.0 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.48 -165.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.671 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -75.74 148.82 38.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.721 0.296 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 64.81 17.38 10.96 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.432 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -75.69 145.25 41.09 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -109.99 127.58 54.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.251 0.548 . . . . 0.0 111.433 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.42 160.28 15.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -114.45 120.73 41.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -102.67 115.15 30.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 111.661 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.08 133.93 53.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.554 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 mt -107.2 137.63 44.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -162.71 143.21 9.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.01 173.99 9.95 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.331 0.395 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.859 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.03 121.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.705 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.782 0 CA-C-O 118.829 -0.984 . . . . 0.0 111.635 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.965 0.412 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 tp -129.48 80.74 1.98 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 114.9 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.85 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -103.11 128.17 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -124.38 119.98 30.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.063 0.458 . . . . 0.0 111.687 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . 0.436 ' HA ' ' HB ' ' B' ' 73' ' ' ILE . 47.2 t30 -90.46 100.61 13.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.34 -7.02 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.526 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.67 -42.34 70.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.381 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -5.75 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.26 59.11 2.46 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.859 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -118.11 123.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.458 0.17 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -105.04 123.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -95.67 170.93 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.831 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.91 -169.0 30.19 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.988 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -88.67 102.55 0.41 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.479 2.786 . . . . 0.0 113.506 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 23.4 mt -83.07 118.6 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -81.98 101.04 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -82.59 176.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.465 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t -145.98 148.07 32.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.144 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.2 -7.7 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.499 . . . . 0.0 110.786 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.28 3.96 36.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.03 128.68 37.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.747 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.81 53.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.45 ' O ' HG12 ' B' ' 29' ' ' ILE . 2.6 pt? -60.77 -27.74 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.532 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -33.63 76.18 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.087 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 23.2 t70 -71.79 -37.19 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.0 -41.89 94.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.36 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.45 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.0 mm -66.77 -33.98 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.905 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.82 96.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.935 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 32.0 mt -68.19 -39.83 82.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.77 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 12.5 tp -62.97 -40.09 96.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -75.14 -28.22 60.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.91 -55.35 4.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.28 -56.49 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.479 ' SG ' HG13 ' B' ' 73' ' ' ILE . 50.7 t -66.32 -23.88 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.5 28.25 33.41 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.752 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.502 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 49.1 t80 -73.4 168.22 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -158.74 146.54 17.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -93.82 10.1 34.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -66.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.867 0.365 . . . . 0.0 111.457 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.66 51.52 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.0 110.874 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.36 151.55 26.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -128.21 138.07 52.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.502 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 48.8 tp -112.08 132.94 54.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.861 0.363 . . . . 0.0 110.812 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.76 130.85 53.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.139 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -107.32 109.26 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 65.13 -77.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.609 0.568 . . . . 0.0 110.79 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -145.74 8.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -112.91 165.66 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.441 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.89 140.64 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.193 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -82.26 87.37 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 56' ' ' ARG . 19.6 t70 -73.84 163.03 28.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 47.8 m -62.77 -28.84 70.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.707 0.289 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.13 -6.62 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.062 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 53' ' ' ASP . 16.2 mmt180 -79.11 62.39 3.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -84.53 31.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.907 0.86 . . . . 0.0 110.316 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -98.76 125.0 43.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.959 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.464 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 1.1 m -73.41 178.36 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.541 0.21 . . . . 0.0 111.066 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -46.8 -52.87 13.17 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.464 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -65.31 -24.06 67.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.26 -34.02 22.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.658 0.266 . . . . 0.0 110.541 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.88 -32.17 63.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.485 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.01 12.65 25.31 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.373 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.09 123.71 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.261 -0.47 . . . . 0.0 110.642 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' OD2' ' B' ' 68' ' ' ASP . 0.5 OUTLIER -116.19 -171.59 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.653 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -79.03 10.67 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.498 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 3.2 p30 -132.45 16.02 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.984 0.356 . . . . 0.0 111.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.08 -171.99 3.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.021 0.439 . . . . 0.0 111.794 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.412 ' C ' HD22 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -159.94 157.51 29.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.081 -179.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -120.77 132.21 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.93 122.43 45.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.272 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.479 HG13 ' SG ' ' B' ' 36' ' ' CYS . 12.0 mm -101.47 112.19 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.934 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -138.75 -158.44 0.86 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -135.48 12.28 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.27 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 71.06 -101.39 0.04 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.336 0.654 . . . . 0.0 111.875 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -73.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.584 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 67.62 2.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.425 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -168.41 -66.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.937 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.124 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.699 0.285 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.36 133.88 50.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -127.75 160.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.65 143.08 46.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.563 0.221 . . . . 0.0 110.739 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.13 123.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 110.241 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -96.12 123.48 39.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -88.14 178.07 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.386 0.429 . . . . 0.0 110.526 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.61 8.55 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.304 0.573 . . . . 0.0 110.381 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.1 8.36 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.754 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.3 12.76 83.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.787 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -86.86 151.59 23.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.569 ' CAA' ' CAC' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 pt -102.88 138.6 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -95.54 127.2 41.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.92 132.05 56.07 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.987 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -88.66 112.13 22.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.01 -177.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.298 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HD13 ' A' ' 56' ' ' LEU . 6.2 mm-40 -142.16 161.26 51.62 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.82 -39.1 68.47 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 113.212 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.74 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -81.82 134.68 35.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.121 0.486 . . . . 0.0 110.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.91 144.18 43.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.818 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.81 -33.91 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.12 -38.6 79.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.226 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.03 -38.59 88.81 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.782 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.7 t -61.77 -43.51 97.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.494 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -61.82 -40.8 96.51 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.01 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.17 85.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.607 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -37.54 87.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.152 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 26' ' ' VAL . 60.8 mt -71.93 -34.02 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -67.12 -34.67 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.939 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.5 -32.48 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -92.35 -54.04 3.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.31 -33.22 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.08 10.72 58.3 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.763 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -88.38 125.57 63.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.51 134.28 50.42 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.559 2.173 . . . . 0.0 112.238 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.14 -29.56 46.4 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.344 2.696 . . . . 0.0 113.401 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.83 -18.95 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.066 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -110.57 20.96 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 110.746 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -119.34 128.61 54.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.035 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -119.76 118.43 30.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.24 116.3 32.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.263 0.554 . . . . 0.0 111.569 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 13.2 mt -109.27 126.16 66.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.143 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -127.94 108.42 10.67 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.03 29.39 16.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.252 0.549 . . . . 0.0 110.5 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' HG3' ' B' ' 16' ' ' PRO . . . 89.67 -6.42 83.06 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.908 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -96.96 132.1 43.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.749 0.309 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.46 125.61 34.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.68 137.18 32.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.594 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 46.2 mt-10 -94.65 142.88 26.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.95 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.06 -37.16 71.42 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.81 21.42 5.56 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.899 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 31.1 mmt180 -121.1 168.69 11.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.299 0.549 . . . . 0.0 109.614 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.45 162.61 14.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.032 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 18' ' ' GLU . 70.3 mt -62.59 -31.97 72.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.149 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -67.99 -23.49 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.581 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.78 -36.22 83.16 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 111.267 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -101.22 11.6 39.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 59.65 35.61 22.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.291 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.83 110.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.097 0.475 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -97.25 -169.92 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.583 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -71.51 158.86 35.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.407 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 61.17 30.08 19.14 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.121 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -96.56 137.65 35.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.049 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -105.12 120.78 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.587 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.19 154.95 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.393 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 5.7 m80 -102.26 112.39 25.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.512 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -93.35 116.65 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.104 0.478 . . . . 0.0 111.145 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.2 139.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -95.83 163.61 13.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 111.277 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -109.55 78.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.819 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -93.65 151.37 19.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.231 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -84.83 -26.15 27.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.945 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.11 -171.88 39.79 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.579 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.863 0 CA-C-O 119.057 -0.857 . . . . 0.0 111.298 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' B' ' 17' ' ' ILE . 25.3 tp -142.16 95.39 2.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.85 126.29 32.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 mt -116.74 130.33 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -116.68 129.82 56.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.199 0.523 . . . . 0.0 111.859 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -99.85 91.34 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 11.47 1.54 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.014 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.65 -66.28 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -21.8 35.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.778 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.12 34.56 8.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -99.76 129.92 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.35 . . . . 0.0 110.67 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.62 120.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.798 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.35 148.93 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -147.69 6.71 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.846 -0.693 . . . . 0.0 114.232 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.4 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 95.4 Cg_endo -80.1 85.75 1.78 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.172 2.581 . . . . 0.0 114.102 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 70.5 mt -78.28 94.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.488 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 3.4 tp10 -66.09 133.12 50.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.215 0.531 . . . . 0.0 111.92 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.21 142.03 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.8 t -98.22 152.66 19.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -70.73 -15.47 62.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.898 0.38 . . . . 0.0 110.291 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.04 0.77 52.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.403 0.621 . . . . 0.0 110.305 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ttt -82.46 133.84 35.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.474 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.02 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -65.48 -32.45 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.181 0.515 . . . . 0.0 109.666 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -37.03 84.35 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.37 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.66 -46.81 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.636 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.98 -43.93 94.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.5 mm -61.65 -39.85 84.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.25 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.941 0.401 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.34 -37.31 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.68 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.91 -35.57 81.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 44.7 mt-30 -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.59 -51.91 3.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.924 0.393 . . . . 0.0 111.103 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' B' ' 73' ' ' ILE . 39.8 t -66.59 -37.25 84.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.578 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.47 29.33 7.1 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -73.4 164.75 26.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 17.6 t70 -156.18 132.88 10.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -76.37 -4.09 40.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -27.56 10.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -140.24 45.02 1.87 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.5 m80 -156.56 148.26 22.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.32 123.71 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.1 tp -96.3 123.13 39.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -105.5 121.84 44.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.311 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.67 94.25 5.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 63.62 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.16 8.63 4.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.279 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.76 146.81 48.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.588 0.232 . . . . 0.0 111.176 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -90.36 132.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.4 101.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -91.9 163.79 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -64.08 -24.34 67.66 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.642 0.377 . . . . 0.0 111.97 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -77.77 -18.27 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.457 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -80.24 78.13 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -95.22 18.04 13.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 110.629 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -74.49 137.9 42.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.408 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.48 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -76.62 179.28 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.288 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.39 -45.78 69.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.48 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -67.44 -29.05 68.42 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.49 -36.03 19.26 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.889 0.376 . . . . 0.0 110.487 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.47 47.62 1.51 Allowed Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.911 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.86 138.94 41.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -55.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.03 4.41 34.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.317 0.579 . . . . 0.0 111.145 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.83 178.84 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.15 172.11 19.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 111.033 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tp -130.29 136.24 48.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.597 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.31 134.93 53.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.878 0.371 . . . . 0.0 111.759 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.609 HG13 ' SG ' ' B' ' 36' ' ' CYS . 27.1 mm -104.18 112.08 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.704 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -132.34 -164.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 110.108 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.46 -123.71 7.78 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.61 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' B' ' 76' ' ' LYS . 27.9 mmmt 66.29 -99.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.075 0.55 . . . . 0.0 110.796 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.1 -52.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.872 0.368 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 61.83 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -171.03 -67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.627 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.8 0.334 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -112.31 134.81 53.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 pt -122.66 155.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.36 137.68 48.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 12' ' ' 3X9 . 61.8 t -115.92 123.12 70.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -99.68 116.82 32.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -87.63 173.87 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 0.0 110.691 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.32 -1.18 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.289 0.566 . . . . 0.0 110.872 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 7.34 28.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.831 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' HA3' ' HB3' ' B' ' 49' ' ' MET . . . 73.92 16.15 79.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.233 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 36.0 ttpt -91.14 110.89 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.679 ' CAD' ' CAB' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.2 pt -109.24 164.86 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.405 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -115.24 137.48 51.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.599 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -131.76 138.43 48.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -90.76 122.07 33.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.134 0.493 . . . . 0.0 109.91 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.08 167.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.4 mm-40 -118.99 157.69 49.87 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.43 -22.85 44.16 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.302 2.002 . . . . 0.0 113.075 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.5 -2.81 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.731 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -74.83 134.97 41.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.76 159.36 23.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.426 179.157 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.61 -37.99 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.86 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.5 -38.5 91.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.073 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.53 -38.79 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.004 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.66 -37.06 80.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.47 80.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.94 -38.56 72.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.846 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.69 -40.23 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.1 tt0 -67.39 -28.24 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.517 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.54 -42.25 74.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -87.22 -55.3 3.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.034 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 72.6 mm-40 -74.62 -40.56 61.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.687 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.65 7.85 62.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.785 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.47 129.0 54.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.132 0.173 . . . . 0.0 110.712 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 137.57 82.15 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 122.896 2.397 . . . . 0.0 112.425 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.74 -24.58 64.12 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.14 2.56 . . . . 0.0 112.514 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -26.28 65.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.17 9.01 40.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.843 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -100.87 128.46 46.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.563 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.95 105.17 8.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -95.79 122.38 38.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.226 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG12 HG22 ' B' ' 13' ' ' ILE . 3.3 mp -127.91 125.06 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -114.86 112.52 22.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.42 54.42 10.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.63 0.581 . . . . 0.0 111.859 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.47 -8.65 9.31 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.941 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -94.77 120.37 34.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.296 0.548 . . . . 0.0 110.805 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -80.9 122.87 27.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.06 131.43 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.363 . . . . 0.0 111.519 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -89.48 153.54 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.36 -42.92 92.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.464 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 45.16 3.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.646 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -142.1 161.8 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 48.3 p -105.91 162.28 13.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.718 0.294 . . . . 0.0 110.495 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.25 -32.49 73.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.535 . . . . 0.0 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -21.97 61.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -67.52 -28.61 67.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -103.14 16.0 27.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.313 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 60.8 29.68 19.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.706 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -76.2 125.13 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -113.1 -161.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.683 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -82.21 156.59 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.19 24.56 14.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -84.0 145.69 28.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.7 m -107.45 107.78 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 0.0 111.429 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.43 148.55 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.852 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -104.85 125.97 51.43 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.67 114.0 27.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.512 . . . . 0.0 111.668 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -108.04 145.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.003 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.8 mt -99.0 169.28 9.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.009 0.433 . . . . 0.0 111.129 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -102.52 93.73 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.309 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 tp -78.23 127.44 32.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.66 101.5 10.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.956 0.408 . . . . 0.0 110.41 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.72 -159.02 11.47 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.846 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.73 -1.039 . . . . 0.0 111.703 -179.767 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.2 tp -84.17 87.35 7.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 40.4 m -71.73 98.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.47 139.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.808 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -140.35 146.53 38.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -120.16 131.05 54.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.358 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.95 -4.99 38.95 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.93 -45.59 88.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.03 10.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.47 41.1 4.89 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.661 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.63 131.16 52.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.468 . . . . 0.0 111.061 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.486 HG22 HG12 ' A' ' 44' ' ' ILE . 39.8 mm -106.54 120.67 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.304 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -84.4 161.71 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.768 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.47 -176.4 50.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.623 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.19 116.2 3.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.196 2.597 . . . . 0.0 112.943 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.5 104.94 17.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.459 0.647 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -80.62 118.66 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.75 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.23 174.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.902 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -129.83 151.41 50.43 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.01 -15.17 61.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.046 0.451 . . . . 0.0 109.871 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.37 7.33 45.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.919 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.65 130.77 38.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 139.18 58.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.18 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.484 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -66.29 -28.51 68.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -32.95 73.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.39 -38.22 89.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -44.58 89.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.141 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 25' ' ' LEU . 49.7 mm -60.4 -38.26 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.875 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.67 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.87 -36.3 83.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.193 0.52 . . . . 0.0 110.218 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.85 -38.95 90.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 45.8 mt-30 -72.68 -22.27 60.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.38 -59.31 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.342 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.46 -61.88 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.596 ' SG ' HG13 ' B' ' 73' ' ' ILE . 48.1 t -71.03 -36.8 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.483 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.91 32.38 6.85 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.346 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 61.0 t80 -71.6 165.66 23.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.566 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -164.94 149.94 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.98 -1.38 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -83.05 -40.89 19.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.98 30.2 2.25 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.733 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 77.5 m80 -134.95 163.44 29.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -125.35 132.73 52.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.434 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 19.1 tp -101.46 110.32 22.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.484 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -96.76 133.22 41.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -127.27 110.88 13.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.126 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 64.3 -78.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.166 0.587 . . . . 0.0 110.824 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.467 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 23.4 ptm -149.4 13.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.463 . . . . 0.0 110.076 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -125.58 -175.76 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.837 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.32 143.62 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.52 79.3 7.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.278 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.15 158.51 35.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.939 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.6 -25.47 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.347 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -67.29 -21.7 65.68 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.022 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -86.29 88.32 7.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -96.8 24.99 5.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.258 0.551 . . . . 0.0 110.521 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -82.42 149.15 27.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.419 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.495 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.7 OUTLIER -80.91 174.04 12.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -52.97 -47.8 67.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.495 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -69.98 -15.26 63.01 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.92 -10.33 34.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -91.99 -4.46 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.642 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 29.79 42.33 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.956 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.14 157.71 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -161.03 -93.72 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.54 7.28 2.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.84 9.18 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.06 26.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.921 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.47 148.93 26.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.584 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.39 130.74 48.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.314 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.67 130.19 56.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 0.0 111.336 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.596 HG13 ' SG ' ' B' ' 36' ' ' CYS . 41.1 mm -95.98 111.66 26.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.345 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -129.57 -165.24 1.5 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.992 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.41 -136.02 13.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.704 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 67.68 -117.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.125 0.57 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.55 -58.35 2.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 111.283 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.85 78.05 9.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.432 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -175.42 -68.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.147 0.498 . . . . 0.0 111.23 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.71 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -116.1 137.01 52.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.624 0.25 . . . . 0.0 110.663 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -123.77 159.19 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -117.68 114.53 23.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.119 0.485 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -104.39 119.42 53.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.877 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' B' ' 68' ' ' ASP . 76.2 tttt -102.58 124.15 47.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.7 p -86.4 172.43 10.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' HD13 ' B' ' 72' ' ' LEU . 47.7 mt -68.44 -15.96 63.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.57 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.68 0.16 48.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.17 8.95 84.73 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.59 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -89.05 135.85 33.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.755 -0.262 . . . . 0.0 110.385 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' 3X9 . . . . . 0.679 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 tp -95.11 140.94 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.904 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -97.76 134.97 40.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.5 mt -131.33 134.16 46.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.912 0.387 . . . . 0.0 111.744 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -87.18 108.09 18.76 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -133.5 175.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.3 mm-40 -137.4 160.23 66.28 Favored Pre-proline 0 C--N 1.316 -0.871 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.23 -33.7 56.0 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.676 2.25 . . . . 0.0 113.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.88 -10.06 59.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -65.39 126.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.238 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -78.92 152.47 31.1 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.53 -39.0 51.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 0.0 110.719 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -64.22 -37.95 89.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.152 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -65.42 -37.9 88.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 t -64.09 -42.17 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 44.5 mtmt -63.34 -34.09 76.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.452 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -30.5 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.125 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -75.41 -39.32 59.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.816 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.6 mt -68.18 -39.0 80.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.33 0.586 . . . . 0.0 109.816 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.6 -25.21 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.057 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.3 -46.56 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.957 0.408 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -76.53 -49.13 17.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -85.55 -36.18 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.89 13.31 59.39 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.287 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -89.36 127.47 54.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.59 133.45 56.88 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.422 2.081 . . . . 0.0 112.305 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.8 -25.66 77.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.944 2.43 . . . . 0.0 113.135 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -4.72 52.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.679 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -114.84 10.17 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.052 0.453 . . . . 0.0 109.882 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 79.6 mt-30 -102.09 117.76 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.621 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -111.41 95.75 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.81 128.68 34.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.766 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 mt -123.15 129.93 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.953 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -124.19 113.47 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 42.7 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.335 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' HG3' ' B' ' 16' ' ' PRO . . . 76.82 6.07 84.86 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 114.082 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 139.28 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.387 0.593 . . . . 0.0 110.76 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.09 141.09 32.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.116 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.15 133.81 44.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.458 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.7 mt-10 -80.85 151.28 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.831 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -44.01 94.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.36 45.4 2.6 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.968 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -130.02 161.73 30.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.029 0.414 . . . . 0.0 110.08 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -105.16 164.88 11.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.614 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 18' ' ' GLU . 71.4 mt -65.65 -31.51 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.483 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -67.88 -27.32 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 55' ' ' THR . 10.8 m-20 -59.95 -46.06 90.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -91.47 8.71 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.977 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.7 36.4 19.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.186 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.57 116.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.287 0.565 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -101.63 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -75.92 150.74 37.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 63.85 22.83 13.18 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.868 0.73 . . . . 0.0 111.977 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -76.13 139.83 41.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -97.46 117.11 30.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.597 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.53 148.0 30.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -103.76 118.68 37.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.236 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.77 109.1 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.103 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.05 147.99 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.9 mt -97.63 178.23 5.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.05 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.99 104.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.12 123.38 16.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -118.71 12.58 13.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.396 0.617 . . . . 0.0 110.136 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.37 50.04 0.81 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.315 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.046 0 CA-C-O 118.733 -1.037 . . . . 0.0 111.466 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 121.218 0.532 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 tp -78.86 106.69 11.06 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.78 127.72 45.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.06 0.457 . . . . 0.0 111.62 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.58 130.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -118.52 126.08 51.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.121 0.486 . . . . 0.0 111.761 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.12 76.71 1.48 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.72 -6.08 7.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.676 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -81.22 -24.77 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.61 -14.64 5.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.734 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.92 17.03 57.15 Favored Glycine 0 CA--C 1.508 -0.378 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.06 103.93 13.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 111.292 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.3 113.43 30.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.407 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -87.55 176.92 7.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.08 -168.67 39.23 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.49 ' HG3' ' CA ' ' A' ' 47' ' ' GLY . 91.8 Cg_endo -88.15 121.01 1.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.929 2.419 . . . . 0.0 113.059 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.93 139.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -99.87 87.37 3.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.126 0.489 . . . . 0.0 109.82 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.45 -172.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t -151.16 157.97 43.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.4 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.433 ' HB2' ' HB3' ' B' ' 61' ' ' LYS . 16.6 pt-20 -71.36 -18.19 62.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 109.954 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.34 -9.6 49.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.293 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 22.3 ttt -81.1 132.25 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.822 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.31 140.36 55.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.477 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -65.7 -35.03 79.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.693 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.443 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -64.16 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.27 -41.31 81.26 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.976 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 25' ' ' LEU . 50.0 mm -62.43 -38.7 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.922 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.32 86.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.1 mt -62.91 -38.62 91.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.015 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 1.1 tp -66.96 -37.33 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 42.9 mt-30 -71.76 -27.82 63.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.817 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.98 -55.97 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.46 -63.17 1.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.665 ' SG ' HG13 ' B' ' 73' ' ' ILE . 47.6 t -63.31 -32.08 73.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.91 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.25 29.44 11.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.158 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.85 160.79 30.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.983 0.42 . . . . 0.0 110.548 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 21.4 t70 -157.21 146.36 20.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -90.37 -3.96 57.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -17.02 13.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -136.92 21.32 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 3.4 m80 -150.54 141.48 22.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.99 0.424 . . . . 0.0 110.29 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.62 136.76 45.85 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.858 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.62 120.32 41.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.016 0.436 . . . . 0.0 110.162 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 12.1 m-85 -105.51 124.05 48.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -107.75 108.75 20.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.375 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 64.69 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.757 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 60.3 mtm -131.59 -1.9 3.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.903 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.73 -174.24 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.44 153.01 16.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 88.0 7.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.118 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -76.86 160.79 28.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -24.1 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -76.9 -10.22 59.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 0.0 110.552 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -89.3 68.01 7.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.941 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -86.77 9.31 19.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.471 0.653 . . . . 0.0 109.772 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' B' ' 62' ' ' GLU . 8.5 mt-30 -69.41 137.75 53.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.89 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.43 177.43 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.44 -38.67 69.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 22.4 pttm -72.44 -23.59 61.09 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.697 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.425 ' HB2' ' HB3' ' B' ' 58' ' ' GLN . 0.5 OUTLIER -88.7 -39.89 13.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.293 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.54 -41.0 96.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.96 32.61 2.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.054 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.11 114.88 22.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -78.43 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.812 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 95.5 m -150.11 -39.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 7.3 p-10 -80.44 3.65 20.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.136 0.493 . . . . 0.0 111.282 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -78.71 160.82 27.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.897 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.19 159.08 44.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.734 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.61 128.12 42.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 4.9 mp -108.55 139.19 43.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.665 HG13 ' SG ' ' B' ' 36' ' ' CYS . 19.5 mm -106.87 117.77 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -135.46 -161.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.464 ' HA2' ' OG ' ' B' ' 80' ' ' SER . . . 99.21 -137.44 13.26 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.043 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 17.3 mmmt 72.13 -103.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.513 0.725 . . . . 0.0 111.117 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt -127.66 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.151 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.62 69.24 8.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.85 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -170.07 -71.8 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.238 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' SER . . . . . 0.464 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.815 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.02 -0.363 . . . . 2.93 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -109.78 142.45 41.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.818 -0.174 . . . . 2.98 110.811 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.72 161.46 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.747 -0.464 . . . . 2.13 109.747 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -116.92 120.64 39.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 3.08 111.098 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.84 120.35 62.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.053 -0.521 . . . . 1.55 109.964 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.9 mtpp -106.11 122.01 45.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.063 -0.517 . . . . 2.32 110.308 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -88.4 165.28 15.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 2.04 111.405 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -64.29 -19.04 65.15 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.075 -0.511 . . . . 2.45 111.323 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -6.96 59.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 3.37 111.236 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 46.32 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.873 -0.68 . . . . 2.64 112.412 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 51.9 mtpt . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 110.273 -0.269 . . . . 3.12 110.273 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.871 0.367 . . . . 2.75 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -100.78 127.92 47.03 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.624 -0.509 . . . . 3.08 109.624 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.3 mt -120.94 141.14 50.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.601 -0.272 . . . . 2.1 110.652 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -91.26 114.24 26.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.175 -0.676 . . . . 3.44 109.175 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -134.6 171.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.633 -0.712 . . . . 2.48 110.84 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.9 mm-40 -122.72 156.58 61.55 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 109.313 -0.625 . . . . 3.35 109.313 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -56.51 -25.23 57.4 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.137 1.891 . . . . 3.49 112.58 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.0 3.97 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.874 0.324 . . . . 3.7 111.874 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.48 146.37 48.63 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.607 0.241 . . . . 3.13 110.486 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -92.49 150.45 20.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.18 -0.464 . . . . 3.69 110.723 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.95 -43.86 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.09 110.55 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.591 . . . . 4.46 110.625 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 43.8 t30 -67.16 -38.16 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.497 . . . . 3.31 109.659 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 48.5 t -63.77 -41.02 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 2.47 109.672 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -61.88 -34.59 76.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.66 -0.7 . . . . 3.49 110.315 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.16 92.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 3.19 110.116 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 35.8 mttt -66.51 -37.79 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.811 -0.631 . . . . 2.54 109.988 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.43 -42.97 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.187 -0.671 . . . . 2.75 109.187 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.83 -38.76 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 4.28 110.941 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.53 -27.39 66.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.061 -0.518 . . . . 4.07 111.998 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -98.74 -48.16 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.948 0.721 . . . . 3.38 112.948 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.4 -34.97 21.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.255 . . . . 3.71 111.69 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.24 -2.41 65.58 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.546 -0.835 . . . . 4.28 112.611 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 71' ' ' LEU . 27.6 mt -77.17 124.13 87.17 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.621 -0.14 . . . . 3.66 110.621 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.5 Cg_exo -53.34 138.44 64.79 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.166 2.577 . . . . 4.53 113.164 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -56.42 -29.44 77.64 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.388 2.725 . . . . 3.95 113.53 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.33 -30.17 70.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 5.06 111.749 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -92.73 0.57 57.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.334 -0.394 . . . . 5.01 110.854 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -93.82 115.72 28.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 3.41 112.335 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -116.38 109.02 16.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.451 -0.944 . . . . 3.91 108.451 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 50' ' ' LEU . 25.8 mt -96.14 131.78 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 2.45 111.871 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.72 129.96 64.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 2.43 110.576 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.4 t80 -122.4 118.69 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 2.81 110.586 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 29.43 17.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.918 -0.583 . . . . 2.92 111.866 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -9.07 78.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.847 -0.692 . . . . 2.98 112.465 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -96.53 131.62 42.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.035 -0.357 . . . . 4.25 110.035 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -79.65 143.19 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.482 -0.327 . . . . 4.45 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.9 mt -105.66 129.9 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 3.38 111.157 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.34 142.45 27.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 5.2 110.388 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -39.41 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 4.23 110.659 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.98 43.55 3.25 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.739 -0.664 . . . . 4.86 113.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -141.47 166.24 25.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.428 -0.582 . . . . 5.69 109.428 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 18.8 p -110.45 170.69 7.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.688 0.28 . . . . 4.3 110.919 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -66.95 -38.77 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 3.35 111.242 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -20.39 65.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 4.25 110.94 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 55' ' ' THR . 17.7 m-20 -66.8 -34.87 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 4.72 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 96.9 m-85 -103.09 8.5 38.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.761 -0.654 . . . . 3.92 111.098 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 66.24 29.56 9.58 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.942 0.776 . . . . 4.83 111.264 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.41 115.2 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.147 -0.479 . . . . 3.32 109.954 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -105.91 -167.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 4.49 110.582 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -71.35 144.99 49.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 4.58 110.997 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 64.53 30.19 12.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 4.05 111.583 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -78.9 136.31 37.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.02 -0.363 . . . . 2.8 110.02 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -95.39 112.4 24.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.205 0.526 . . . . 2.27 111.065 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -106.8 151.49 25.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.718 -0.673 . . . . 1.64 110.213 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -113.56 127.85 56.23 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -105.32 108.03 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.81 110.859 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -98.26 136.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.501 -0.772 . . . . 2.76 109.486 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 36' ' ' ILE . 60.1 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 110.297 -0.26 . . . . 3.76 110.297 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' B' ' 69' ' ' ASP . 33.5 tp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.147 0.498 . . . . 0.85 111.621 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.5 m -104.63 90.5 3.52 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.145 -0.934 . . . . 1.13 110.322 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.411 ' O ' ' HD1' ' B' ' 14' ' ' TYR . 5.2 mt -88.89 119.22 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.39 -0.596 . . . . 1.12 109.39 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.37 106.52 9.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.048 0.452 . . . . 1.3 110.791 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -91.83 85.05 5.48 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.581 -0.896 . . . . 1.27 108.581 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 8' ' ' GLU . 3.1 mm-40 -74.85 2.44 10.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 2.53 112.225 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.76 -32.7 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.935 -0.765 . . . . 1.46 108.935 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.65 -6.36 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 1.95 110.36 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.54 31.42 60.82 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.944 -0.571 . . . . 1.46 112.173 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -107.12 120.11 41.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 2.73 111.12 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.08 138.26 30.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.719 -0.845 . . . . 1.48 108.719 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.473 ' CE2' ' HA ' ' B' ' 36' ' ' CYS . 13.3 m-85 -105.86 171.04 7.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.883 0.373 . . . . 1.33 111.145 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.71 161.72 48.27 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 1.35 112.404 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.34 112.07 3.44 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.719 2.279 . . . . 1.53 111.847 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -93.1 144.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 1.32 110.199 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -88.5 121.32 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.854 -0.425 . . . . 3.01 109.854 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 m -109.0 161.52 7.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.177 -0.465 . . . . 1.32 111.25 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -135.36 159.23 42.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 1.53 109.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.45 -28.59 63.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.896 0.379 . . . . 1.79 110.721 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.42 -4.64 57.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 2.33 110.609 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 28.0 ttt -79.03 127.83 32.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.014 -0.539 . . . . 1.35 110.038 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.41 146.78 54.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 1.4 111.265 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.499 ' O ' HG12 ' B' ' 29' ' ' ILE . 25.5 tp -64.67 -43.85 92.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.871 -0.604 . . . . 1.38 109.668 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -30.66 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.26 111.719 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.15 -43.02 88.2 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.228 -0.656 . . . . 1.65 109.228 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.48 -42.24 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.02 109.216 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 25' ' ' LEU . 38.2 mm -60.96 -36.88 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.95 110.054 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.78 80.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 1.31 110.037 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.86 -38.19 87.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.289 0.566 . . . . 1.46 109.875 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 5.0 tp -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 1.01 110.936 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 41.1 mt-30 -75.3 -21.12 58.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 1.42 111.658 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.44 -63.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.126 0.417 . . . . 1.47 112.126 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.43 -57.9 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.904 -0.589 . . . . 1.56 112.1 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.66 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.5 t -70.12 -37.35 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.194 -0.457 . . . . 1.21 111.711 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.31 21.49 17.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.881 -0.676 . . . . 1.18 111.708 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 53.7 t80 -65.57 158.31 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.706 -0.479 . . . . 1.05 109.706 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 10.4 t70 -145.45 137.05 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.272 -0.64 . . . . 1.63 109.272 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -88.45 4.96 44.63 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.941 0.348 . . . . 1.71 111.941 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -44.61 2.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.651 0.262 . . . . 1.51 111.539 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -119.87 41.78 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 1.99 111.889 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 1.6 m80 -159.24 151.2 20.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.879 -0.415 . . . . 1.32 109.879 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -116.3 127.13 54.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.152 0.501 . . . . 1.18 109.989 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.516 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 34.3 tp -94.79 118.69 32.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.199 -0.455 . . . . 0.65 111.339 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 5.2 m-30 -98.93 109.89 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.177 0.513 . . . . 1.6 109.961 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -97.52 103.78 15.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.774 -0.648 . . . . 2.06 109.915 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 67.22 -78.81 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.687 0.617 . . . . 2.27 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mtm -145.56 18.24 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.728 0.299 . . . . 1.57 110.949 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -138.1 171.0 15.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.395 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.05 142.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.872 0.368 . . . . 1.56 110.867 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.42 89.51 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.97 110.062 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.66 162.65 17.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.633 -0.712 . . . . 1.21 111.104 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -60.56 -24.52 65.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.903 0.382 . . . . 1.0 111.325 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -67.34 -27.22 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.89 110.01 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -88.99 68.34 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 1.69 110.338 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.9 t -88.98 5.2 45.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.98 -0.554 . . . . 1.09 110.413 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -67.82 146.47 53.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 1.32 110.442 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -77.4 176.63 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.475 -0.329 . . . . 1.11 110.87 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' B' ' 65' ' ' LEU . 55.5 mt -56.79 -44.93 82.37 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.424 0.527 . . . . 1.19 112.424 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -70.6 -2.99 16.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.023 0.379 . . . . 1.45 112.023 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.05 -33.09 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 1.68 110.951 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -29.54 70.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 1.27 110.009 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.19 47.12 0.77 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.803 -0.713 . . . . 1.23 112.635 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 60' ' ' LEU . 2.8 mt -75.87 143.73 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.496 -0.557 . . . . 1.53 109.496 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -141.52 -155.68 0.61 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.154 -0.475 . . . . 1.83 110.867 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -24.78 67.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 2.36 111.735 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.95 104.69 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.025 -0.534 . . . . 1.39 110.428 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 3' ' ' LEU . 8.7 p-10 -118.69 122.21 41.96 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.57 -0.741 . . . . 2.28 109.596 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.448 HD13 ' H ' ' B' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 140.01 49.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 1.14 111.62 -179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.83 123.39 37.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.203 -0.908 . . . . 0.64 109.911 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 66.7 mt -106.21 130.25 54.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.046 0.45 . . . . 1.14 110.521 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.66 HG13 ' SG ' ' B' ' 36' ' ' CYS . 33.0 mm -98.98 117.59 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.69 -0.686 . . . . 0.84 110.745 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.595 ' HD3' ' OD1' ' B' ' 79' ' ' ASN . 1.6 mtt180 -142.03 -163.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.199 -0.455 . . . . 1.89 110.478 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.58 -117.87 5.85 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.755 -0.736 . . . . 1.24 112.21 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt 69.02 -99.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 122.996 0.519 . . . . 1.5 111.296 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 45.7 mt -121.08 -80.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.709 -0.223 . . . . 1.94 111.099 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.3 m -79.93 75.94 6.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.212 0.529 . . . . 2.24 111.061 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASN . . . . . 0.595 ' OD1' ' HD3' ' B' ' 74' ' ' ARG . 0.2 OUTLIER -178.5 -45.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.165 -0.925 . . . . 1.77 109.134 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.474 -0.774 . . . . 1.68 110.442 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.71 0.29 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -105.14 138.84 40.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.227 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -129.07 164.8 30.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.5 m-85 -120.84 118.05 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -97.96 121.8 48.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.142 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -98.61 122.86 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.385 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -89.02 169.08 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.67 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.005 0.431 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.988 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -0.49 71.47 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.821 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.9 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.601 0.239 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 129.22 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -133.55 139.25 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 111.679 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -91.29 115.84 28.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.29 162.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 59.5 mm-40 -117.78 156.48 49.73 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.09 -32.65 87.41 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.356 2.037 . . . . 0.0 112.597 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -91.05 19.97 5.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -91.83 128.41 37.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 152.74 40.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 50' ' ' LEU . 42.3 mm -58.8 -38.23 71.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 110.325 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -59.89 -32.08 70.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.553 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.12 -41.03 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.182 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.9 t -61.38 -45.42 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.272 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 23.1 mtmt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.93 83.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.216 0.532 . . . . 0.0 109.955 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -69.82 -35.3 74.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.824 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 61.3 mt -70.46 -37.7 71.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -63.51 -33.38 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.556 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.27 -29.44 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.65 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 111.838 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -80.98 -37.05 29.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.13 0.8 67.64 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.01 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -78.47 126.17 83.43 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 122.897 -0.178 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.1 Cg_exo -50.59 136.75 41.44 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.759 2.306 . . . . 0.0 112.07 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 28.1 Cg_exo -60.98 -19.03 61.07 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.788 2.325 . . . . 0.0 112.676 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.56 -36.32 76.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.801 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.15 9.69 34.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.37 107.85 20.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 111.307 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -107.6 110.85 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.774 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.53 124.64 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 111.388 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.15 132.6 71.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.205 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.23 105.28 7.81 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.803 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.52 38.82 22.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.41 -24.99 13.96 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.13 132.44 45.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -86.96 117.18 25.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.543 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 23' ' ' ILE . 11.1 mp -83.07 125.36 31.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.07 0.462 . . . . 0.0 111.157 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -103.91 147.06 27.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.99 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.74 -37.9 71.65 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 42.23 3.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.165 -0.54 . . . . 0.0 113.395 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -139.51 163.33 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 6.5 p -107.73 173.73 6.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.439 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.1 mt -71.23 -37.22 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.661 0.267 . . . . 0.0 111.478 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -17.49 63.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -62.01 -36.39 81.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.654 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 72.2 m-85 -103.71 6.54 36.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 67.27 37.43 3.62 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.826 0.704 . . . . 0.0 111.54 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.8 mt -77.47 120.22 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.926 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -108.58 -167.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.696 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -74.02 149.31 41.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.277 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 67.6 14.1 9.46 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.011 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -75.4 140.03 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -103.21 119.85 39.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.703 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.25 149.67 24.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.794 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.83 114.9 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.909 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 tp -100.94 104.48 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.83 146.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.35 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.467 HD22 HG11 ' B' ' 19' ' ' VAL . 49.8 tp . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 115.43 22.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.006 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.92 126.22 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.669 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -115.81 123.32 47.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 111.926 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.68 80.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.66 -2.37 35.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.495 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.86 -39.7 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.228 0.537 . . . . 0.0 110.157 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -111.08 -7.32 14.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.155 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.53 11.15 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.591 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.7 120.97 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -99.28 136.84 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.84 153.22 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.701 0.286 . . . . 0.0 110.806 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.6 138.6 48.3 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.424 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.4 135.01 67.88 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.201 2.601 . . . . 0.0 111.815 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.47 141.52 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -89.66 112.67 23.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.615 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.537 HG12 HD21 ' B' ' 28' ' ' LEU . 19.5 m -103.16 164.15 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -135.58 159.18 42.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.66 -20.95 60.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -91.06 -4.69 56.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.0 ttt -80.29 128.67 33.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.63 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 134.72 53.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.438 HD23 ' H ' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -60.51 -30.08 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.48 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.954 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.83 -38.79 89.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.394 0.616 . . . . 0.0 109.547 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.537 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -63.03 -43.78 97.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.712 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' B' ' 33' ' ' GLN . 46.8 mm -64.04 -40.71 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.141 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.68 76.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.23 -42.23 99.12 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.5 -40.16 86.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 43.2 mt-30 -74.26 -35.21 63.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.846 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.54 -31.39 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.79 -59.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.628 ' SG ' HG13 ' B' ' 73' ' ' ILE . 45.6 t -76.92 -14.28 59.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.696 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.69 24.54 58.21 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.05 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 71.3 t80 -66.5 159.25 27.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.795 0.331 . . . . 0.0 110.415 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.02 145.74 25.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -104.04 30.79 4.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.4 -40.28 2.49 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.275 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -138.59 31.01 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 0.0 111.235 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.18 147.56 47.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.159 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -112.66 127.56 56.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.486 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 30.6 tp -94.76 120.48 35.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.777 0.322 . . . . 0.0 110.589 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -105.91 112.55 25.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.206 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.67 123.79 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 62.14 -83.32 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 28.0 ttm -149.91 17.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.65 179.5 5.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.488 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -115.49 139.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.758 0.313 . . . . 0.0 110.335 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -73.46 95.18 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.118 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -85.47 159.7 19.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.437 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -61.14 -28.96 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -72.73 -17.67 61.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -81.89 71.55 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.1 t -92.83 14.81 16.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.306 0.574 . . . . 0.0 109.734 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' B' ' 58' ' ' GLN . 7.2 mt-30 -75.19 147.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.209 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.8 OUTLIER -81.44 175.58 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.952 0.406 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.48 -40.6 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.917 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -71.79 -9.7 58.68 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -104.42 -36.5 7.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.13 -26.62 64.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.559 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.96 17.17 35.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.577 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.26 114.8 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.491 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 0.0 OUTLIER -93.84 176.03 6.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.15 0.5 . . . . 0.0 110.958 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -20.15 65.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.722 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.82 19.12 20.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.7 179.38 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.563 0.22 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.84 176.57 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.468 . . . . 0.0 111.697 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.75 126.16 16.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.204 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.67 136.91 52.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.2 0.524 . . . . 0.0 111.985 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.628 HG13 ' SG ' ' B' ' 36' ' ' CYS . 44.6 mm -107.75 112.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.046 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -136.62 -172.55 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.566 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 109.4 -132.56 11.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.716 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.6 mmmt 73.43 -100.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.138 0.575 . . . . 0.0 112.229 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.05 -81.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.74 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -90.18 90.19 7.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -169.28 -66.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' SER . . . . . 0.416 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.616 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.751 0.31 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -106.59 132.92 52.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -121.95 160.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.14 107.6 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.49 125.33 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 94.0 mttt -111.59 125.38 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 5.6 p -91.72 173.4 7.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.76 -28.15 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -7.92 54.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.11 29.02 32.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.735 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 47.4 mtpt . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -81.84 127.65 33.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.747 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.3 144.44 51.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.803 0.335 . . . . 0.0 111.218 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.75 108.01 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 0.0 109.752 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.34 171.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.451 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.9 mm-40 -127.95 156.64 75.76 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.88 -24.76 40.32 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.403 2.069 . . . . 0.0 112.572 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.51 4.03 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.996 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -88.41 140.29 29.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 155.55 20.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 51.6 mm -59.39 -41.57 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.396 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.93 -38.97 76.88 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.013 0.435 . . . . 0.0 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.51 -36.89 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.936 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.08 -39.46 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.2 mmmm -60.37 -39.65 88.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.926 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.78 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.532 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.39 -39.0 91.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.03 0.443 . . . . 0.0 110.342 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.34 -37.34 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 55.7 tt0 -63.37 -33.52 75.71 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.431 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.21 -46.12 82.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.352 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -84.82 -58.01 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -71.83 -35.44 69.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 83.09 43.97 7.3 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.224 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.0 mt -122.25 128.37 25.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.9 Cg_exo -55.72 138.84 82.49 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.634 2.222 . . . . 0.0 112.28 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -59.13 -24.62 74.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.924 2.416 . . . . 0.0 112.903 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -21.53 58.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.122 0.487 . . . . 0.0 111.294 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.47 10.6 40.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.022 0.439 . . . . 0.0 110.013 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -112.71 126.51 55.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.665 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -122.15 102.8 8.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.52 129.83 34.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.59 133.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -129.03 114.39 16.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.29 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.82 47.79 17.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.874 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.71 15.74 75.83 Favored Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.418 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -123.06 121.45 36.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.018 0.409 . . . . 0.0 110.731 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' HG13 ' B' ' 13' ' ' ILE . 29.4 tt0 -74.68 135.9 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -94.88 125.75 39.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 27.3 mt-10 -86.65 138.43 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.49 -40.76 62.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.2 36.54 3.18 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.823 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 23.7 mmt180 -130.09 167.33 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.043 0.422 . . . . 0.0 110.164 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.82 159.56 15.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.151 0.501 . . . . 0.0 110.495 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -20.46 62.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.082 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.92 -27.09 63.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 0.0 110.487 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.83 8.26 34.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 62.67 34.45 14.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.606 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -76.17 123.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.98 0.419 . . . . 0.0 110.311 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -111.87 -160.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.247 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -76.98 149.24 35.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.706 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 63.36 31.26 15.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.034 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 m -85.43 129.44 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.221 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.92 115.18 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.32 133.83 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -93.58 119.93 33.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 38.9 tp -108.05 111.99 24.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.447 . . . . 0.0 111.143 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.46 133.83 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.688 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.267 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 50.8 m -64.14 107.55 1.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.096 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.51 129.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.46 128.75 51.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.17 0.509 . . . . 0.0 111.652 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -95.56 107.26 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -84.06 3.84 32.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.3 -45.76 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.966 0.412 . . . . 0.0 110.338 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -3.53 18.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.471 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 53.07 27.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.843 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -116.43 137.91 51.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.455 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 49' ' ' GLN . 42.9 mm -112.29 120.98 63.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.45 159.26 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.096 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.3 173.14 16.01 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.53 -0.759 . . . . 0.0 114.094 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.33 86.99 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.319 2.68 . . . . 0.0 112.53 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.75 133.0 32.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.157 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -104.34 123.54 47.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -117.34 176.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.77 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.8 t -140.71 153.54 45.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.014 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.81 -18.56 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.046 0.45 . . . . 0.0 110.303 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.53 -0.87 57.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.43 128.61 37.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.736 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.24 136.83 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.275 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.509 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.4 pt? -62.05 -27.69 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.707 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.69 95.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.47 -36.84 83.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.056 0.455 . . . . 0.0 109.95 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -67.26 -41.35 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.589 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 25' ' ' LEU . 41.4 mm -61.62 -38.13 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.577 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -51.37 68.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.263 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.23 -38.1 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.272 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 -37.88 89.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.756 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -72.46 -36.81 68.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.2 -50.69 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.31 -65.25 1.03 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.4 t -64.19 -38.9 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.601 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.53 31.87 6.57 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.598 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 62.8 t80 -75.88 154.66 35.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.965 0.412 . . . . 0.0 110.429 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.599 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 14.0 t70 -139.92 137.37 34.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.66 1.4 53.83 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.84 8.99 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.45 34.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.147 0.499 . . . . 0.0 110.951 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 10.1 m80 -155.24 154.68 32.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.824 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -115.44 112.73 22.73 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.412 0.445 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 36.3 tp -84.53 115.66 22.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.843 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' B' ' 51' ' ' ILE . 43.3 m-85 -101.74 115.42 30.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.188 0.518 . . . . 0.0 111.078 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 120.74 42.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 64.43 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.5 mtm -144.39 2.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.257 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -124.51 170.43 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.0 110.819 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.403 HG12 ' CE2' ' B' ' 46' ' ' TYR . 8.0 mt -93.6 145.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.3 OUTLIER -77.72 90.39 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -80.7 160.1 25.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.003 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -25.79 64.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.368 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -71.75 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.483 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -91.08 67.73 5.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.766 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.3 t -87.73 -0.59 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.466 0.65 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' B' ' 62' ' ' GLU . 1.1 pt20 -64.66 138.8 58.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.371 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.487 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 72.8 m -78.29 -179.96 6.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.4 mt -48.81 -51.23 30.5 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.487 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -62.23 -21.17 64.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.852 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 58' ' ' GLN . 6.0 mt-10 -94.81 -36.95 11.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.216 -0.303 . . . . 0.0 111.099 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.56 -26.31 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.31 0.37 31.21 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.678 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.45 147.33 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.809 0.338 . . . . 0.0 110.168 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.526 ' HG2' ' H ' ' B' ' 67' ' ' THR . 0.1 OUTLIER -127.85 -76.14 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.712 -178.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 1.2 m -161.29 -24.15 0.05 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.703 0.287 . . . . 0.0 111.356 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.54 25.67 10.45 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.96 -174.59 4.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.15 168.37 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.833 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -144.37 137.3 27.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mp -117.57 134.2 55.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.398 . . . . 0.0 111.021 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.543 HG13 ' SG ' ' B' ' 36' ' ' CYS . 43.0 mm -105.91 114.68 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.539 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -134.04 -160.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' B' ' 79' ' ' ASN . . . 111.34 -141.96 16.75 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.082 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 29.3 mmmt 67.71 -163.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.909 0.385 . . . . 0.0 110.56 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.86 -57.9 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 84.52 7.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' B' ' 75' ' ' GLY . 6.5 t30 178.28 -70.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.106 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.265 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.8 ptt? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -98.29 134.47 41.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -131.96 164.65 34.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.9 m-85 -125.14 134.84 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.4 t -119.57 112.11 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 4.0 mmtp -90.39 118.61 30.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.741 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -83.12 172.19 12.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.132 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.94 -11.54 60.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.95 -10.33 36.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.305 0.574 . . . . 0.0 110.539 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.74 4.93 54.34 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.41 120.46 35.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.952 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.53 142.94 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.826 0.346 . . . . 0.0 111.517 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -112.43 92.79 4.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 1' ' ' MET . 10.5 m -130.57 163.92 34.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.124 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.0 mm-40 -107.36 158.77 32.32 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.67 -17.55 36.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 0.0 112.715 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.01 1.43 47.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.825 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.93 148.71 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -88.08 151.71 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.175 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -59.06 -44.68 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.52 -37.43 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.51 -41.94 92.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' THR . 61.3 t -63.03 -41.65 93.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.006 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.33 -35.35 78.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.7 84.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 0.0 109.935 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.75 -31.72 66.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.76 -38.19 78.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -63.12 -30.03 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.319 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -74.53 -27.35 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.178 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -97.04 -46.86 6.02 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.85 -22.0 19.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.62 26.6 64.91 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.637 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -104.3 123.28 41.11 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 77.4 Cg_exo -50.38 136.33 39.71 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.773 2.316 . . . . 0.0 112.696 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 11.6 Cg_exo -67.8 -5.92 15.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.72 2.28 . . . . 0.0 112.456 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.88 -13.02 46.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -118.62 16.27 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 109.774 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -100.72 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.066 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -109.64 104.75 13.82 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.04 119.46 32.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.16 0.505 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.95 127.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.715 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -115.84 99.14 7.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 49.05 9.08 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.385 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.6 -19.24 25.41 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.561 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -94.12 119.7 33.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.017 0.409 . . . . 0.0 111.215 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -80.38 133.84 35.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.86 149.77 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.544 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -102.32 151.91 21.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.773 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.31 -49.03 78.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.683 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.86 50.52 4.42 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.037 -0.602 . . . . 0.0 113.99 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -138.89 164.66 29.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.05 158.63 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.186 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.1 mt -59.26 -33.65 71.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.465 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -66.7 -24.58 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.598 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -93.2 14.45 18.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.415 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 60.05 33.68 21.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.823 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -75.56 118.54 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -110.35 -163.13 0.84 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -75.82 151.74 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.32 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 66.74 19.4 10.74 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.817 0.698 . . . . 0.0 111.963 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -80.15 129.08 34.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.779 0.323 . . . . 0.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 14.4 m -104.17 117.27 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.48 160.05 15.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.996 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 122.46 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.757 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -104.69 110.93 23.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.13 153.16 9.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.246 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.134 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' B' ' 16' ' ' PRO . 18.2 tp . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.766 0.317 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -109.72 115.22 29.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.364 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -108.61 130.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -136.09 143.23 44.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -134.71 91.71 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -80.42 12.05 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.05 -31.6 61.33 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.22 3.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.434 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.5 54.23 6.9 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.374 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -108.87 102.05 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.097 0.475 . . . . 0.0 110.831 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mm -90.82 113.03 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.103 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' B' ' 36' ' ' CYS . 28.5 m-85 -91.31 140.58 29.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.28 148.07 51.14 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.939 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' B' ' 3' ' ' LEU . 12.3 Cg_endo -57.11 130.42 39.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.417 2.745 . . . . 0.0 112.4 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.42 146.97 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -101.72 110.88 22.96 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.715 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 m -92.71 179.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.882 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.4 t -146.63 155.68 42.64 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.075 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.52 -12.56 60.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -99.3 4.09 46.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.244 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.0 ttt -89.35 135.66 33.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.03 135.23 44.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' B' ' 26' ' ' THR . 0.6 OUTLIER -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.499 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.418 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -65.64 -34.43 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 8.0 t70 -68.58 -38.84 81.02 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.33 -43.74 93.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.808 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.95 -39.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.797 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.43 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 84.7 mt -60.69 -40.02 90.61 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.376 0.608 . . . . 0.0 109.896 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 4.7 mp -65.82 -41.77 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.25 -19.98 60.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.49 -63.02 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.94 -55.18 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.542 ' SG ' HG13 ' B' ' 73' ' ' ILE . 3.6 t -66.44 -28.41 68.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.493 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.29 21.1 55.7 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.396 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 45.0 t80 -65.74 157.22 30.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.117 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 6.2 t70 -148.67 132.15 16.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.087 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -84.8 21.69 1.51 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.007 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -117.31 -57.55 2.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -116.58 12.52 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.2 m80 -121.86 147.45 45.97 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.953 -0.467 . . . . 0.0 109.982 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -109.06 136.47 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 44.3 tp -105.91 128.8 54.02 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' B' ' 74' ' ' ARG . 12.1 m-85 -118.66 128.19 54.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.893 0.378 . . . . 0.0 111.595 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.44 109.51 19.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t30 65.16 -78.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.747 0.654 . . . . 0.0 111.091 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 8.1 mtm -148.97 21.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -132.68 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.675 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.3 mt -87.45 135.59 25.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.38 94.61 3.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.275 0.56 . . . . 0.0 110.39 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.74 165.76 13.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.203 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.0 -26.08 67.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.675 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.21 -15.24 62.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -96.73 46.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.535 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -79.97 40.13 0.46 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.84 0.829 . . . . 0.0 110.297 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.14 146.51 24.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.17 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -73.76 169.72 16.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.207 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.25 -29.75 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.374 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -78.65 -5.2 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.343 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.02 -37.96 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.15 -36.62 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.506 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.26 29.61 2.94 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.089 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.36 146.77 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -157.79 -67.7 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 111.227 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -158.48 -45.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.216 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 12.3 p-10 -89.59 34.18 0.83 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.669 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.427 ' C ' HD13 ' B' ' 70' ' ' LEU . 0.6 OUTLIER -100.54 167.74 10.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.427 HD13 ' C ' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -156.33 152.63 27.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -129.82 131.94 46.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.83 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -116.32 135.68 53.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.508 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.542 HG13 ' SG ' ' B' ' 36' ' ' CYS . 11.2 mm -102.49 124.01 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.351 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.472 ' HB2' ' CE1' ' B' ' 46' ' ' TYR . 44.1 mtp85 -139.35 -159.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 104.83 -133.81 11.73 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.519 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.1 mmmt 71.47 -102.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.056 0.542 . . . . 0.0 111.456 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.2 mt -129.86 -58.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 111.405 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.47 60.06 5.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.721 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -165.68 -58.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.721 -0.657 . . . . 0.0 110.971 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptt? . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -109.6 141.73 41.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -130.75 162.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.397 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.0 m-85 -117.42 134.18 55.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.222 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.83 121.22 67.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.723 0.297 . . . . 0.0 110.579 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -97.04 123.59 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.195 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -92.33 175.76 6.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.94 -8.45 56.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.065 0.46 . . . . 0.0 110.86 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -99.66 -5.32 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.01 45.95 6.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.601 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 110.802 179.584 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.883 0.373 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -98.1 127.53 44.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.984 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -128.11 140.47 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -88.41 113.91 24.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.7 m -138.05 164.37 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.502 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.4 mm-40 -120.73 161.91 37.46 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -36.09 79.7 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.317 2.011 . . . . 0.0 113.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 9.92 20.47 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.5 t0 -75.7 133.9 40.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.794 0.331 . . . . 0.0 110.13 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.46 148.32 31.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 41.9 mm -59.13 -40.93 82.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.461 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.4 -36.59 76.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.625 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 58.1 t30 -66.93 -35.78 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.245 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 37.1 t -66.38 -38.44 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 3.3 mmmm -61.32 -37.06 81.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.697 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.39 78.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 49.7 mttt -68.84 -37.69 79.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.087 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.9 mt -68.21 -33.78 62.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 121.354 0.597 . . . . 0.0 109.614 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.5 tt0 -64.46 -31.94 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.302 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -74.22 -35.71 63.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 63.5 mmtt -81.65 -63.31 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.163 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.68 -32.61 31.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 89.88 9.88 65.46 Favored Glycine 0 N--CA 1.458 0.124 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.4 mt -87.14 130.41 48.14 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.5 Cg_exo -56.12 131.49 46.22 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.595 2.196 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 67.8 Cg_exo -55.05 -26.71 51.36 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 123.271 2.647 . . . . 0.0 113.1 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.1 65.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.338 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -99.98 -1.32 37.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 80.1 mt-30 -92.2 124.4 36.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.807 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -91.07 126.27 36.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 127.73 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.494 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -131.01 124.06 30.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.505 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.54 39.4 11.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.486 0.491 . . . . 0.0 111.31 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 17.43 72.26 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.315 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -131.08 138.03 49.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.81 0.305 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.46 139.92 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -93.69 143.5 26.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.08 -20.69 65.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.571 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.01 26.61 14.0 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -133.49 171.57 13.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.13 170.02 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.358 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 18' ' ' GLU . 85.4 mt -63.55 -35.46 80.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -71.82 -12.58 61.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -77.28 -11.44 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.542 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.38 10.34 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.716 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 63.88 32.28 13.39 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.854 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -75.66 128.0 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.48 -165.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.671 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -75.74 148.82 38.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.721 0.296 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 64.81 17.38 10.96 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.432 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -75.69 145.25 41.09 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' B' ' 68' ' ' ASP . 3.4 m -109.99 127.58 54.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.251 0.548 . . . . 0.0 111.433 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.42 160.28 15.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -114.45 120.73 41.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -102.67 115.15 30.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 111.661 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.08 133.93 53.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.554 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.323 -0.561 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 tp . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 114.9 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.85 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -103.11 128.17 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -124.38 119.98 30.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.063 0.458 . . . . 0.0 111.687 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASN . . . . . 0.469 ' HA ' ' HB ' ' B' ' 73' ' ' ILE . 47.2 t30 -90.46 100.61 13.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.34 -7.02 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.526 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.67 -42.34 70.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.381 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -5.75 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.26 59.11 2.46 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.859 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -118.11 123.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.458 0.17 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -105.04 123.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -95.67 170.93 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.831 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.91 -169.0 30.19 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.988 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -88.67 102.55 0.41 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.479 2.786 . . . . 0.0 113.506 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 23.4 mt -83.07 118.6 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -81.98 101.04 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -82.59 176.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.465 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t -145.98 148.07 32.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.144 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.2 -7.7 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.499 . . . . 0.0 110.786 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.28 3.96 36.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.03 128.68 37.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.747 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.81 53.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 29' ' ' ILE . 2.6 pt? -60.77 -27.74 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.532 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -33.63 76.18 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.087 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 23.2 t70 -71.79 -37.19 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.0 -41.89 94.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.36 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.0 mm -66.77 -33.98 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.905 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.82 96.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.935 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 32.0 mt -68.19 -39.83 82.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.77 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 12.5 tp -62.97 -40.09 96.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -75.14 -28.22 60.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.91 -55.35 4.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.28 -56.49 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 73' ' ' ILE . 50.7 t -66.32 -23.88 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.5 28.25 33.41 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.752 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 49.1 t80 -73.4 168.22 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -158.74 146.54 17.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -93.82 10.1 34.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -66.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.867 0.365 . . . . 0.0 111.457 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.66 51.52 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.0 110.874 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.36 151.55 26.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -128.21 138.07 52.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 48.8 tp -112.08 132.94 54.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.861 0.363 . . . . 0.0 110.812 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.76 130.85 53.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.139 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -107.32 109.26 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 65.13 -77.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.609 0.568 . . . . 0.0 110.79 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -145.74 8.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -112.91 165.66 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.441 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.89 140.64 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.193 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 52' ' ' LEU . 1.1 mm? -82.26 87.37 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ARG . 19.6 t70 -73.84 163.03 28.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 47.8 m -62.77 -28.84 70.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.707 0.289 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.13 -6.62 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.062 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' B' ' 53' ' ' ASP . 16.2 mmt180 -79.11 62.39 3.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -84.53 31.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.907 0.86 . . . . 0.0 110.316 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -98.76 125.0 43.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.959 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.496 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 1.1 m -73.41 178.36 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.541 0.21 . . . . 0.0 111.066 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -46.8 -52.87 13.17 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.496 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -65.31 -24.06 67.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.26 -34.02 22.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.658 0.266 . . . . 0.0 110.541 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.88 -32.17 63.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.485 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.01 12.65 25.31 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.373 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.409 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 0.7 OUTLIER -60.09 123.71 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.261 -0.47 . . . . 0.0 110.642 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' OD2' ' B' ' 68' ' ' ASP . 0.5 OUTLIER -116.19 -171.59 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.653 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -79.03 10.67 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 3.2 p30 -132.45 16.02 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.984 0.356 . . . . 0.0 111.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.409 ' OD2' ' HA ' ' B' ' 65' ' ' LEU . 11.5 m-20 -85.08 -171.99 3.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.021 0.439 . . . . 0.0 111.794 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.94 157.51 29.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.081 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -120.77 132.21 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.93 122.43 45.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.272 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.476 HG13 ' SG ' ' B' ' 36' ' ' CYS . 12.0 mm -101.47 112.19 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.934 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -138.75 -158.44 0.86 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -135.48 12.28 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.27 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 71.06 -101.39 0.04 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.336 0.654 . . . . 0.0 111.875 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -73.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.584 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 67.62 2.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.425 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -168.41 -66.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.937 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.124 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.699 0.285 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.36 133.88 50.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -127.75 160.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.65 143.08 46.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.563 0.221 . . . . 0.0 110.739 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.13 123.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 110.241 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -96.12 123.48 39.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -88.14 178.07 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.386 0.429 . . . . 0.0 110.526 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.61 8.55 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.304 0.573 . . . . 0.0 110.381 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.1 8.36 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.754 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.3 12.76 83.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.787 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -95.54 127.2 41.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD11 HG12 ' A' ' 30' ' ' ILE . 82.1 mt -118.92 132.05 56.07 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.987 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -88.66 112.13 22.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.01 -177.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.298 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -142.16 161.26 51.62 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.82 -39.1 68.47 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 113.212 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.74 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -81.82 134.68 35.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.121 0.486 . . . . 0.0 110.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.91 144.18 43.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.818 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.81 -33.91 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.12 -38.6 79.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.226 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.03 -38.59 88.81 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.782 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.7 t -61.77 -43.51 97.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.494 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 4.3 mmmm -61.82 -40.8 96.51 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.01 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.17 85.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.607 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -37.54 87.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.152 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG12 HD11 ' A' ' 15' ' ' LEU . 60.8 mt -71.93 -34.02 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -67.12 -34.67 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.939 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.5 -32.48 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -92.35 -54.04 3.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.31 -33.22 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.08 10.72 58.3 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.763 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 42.7 mt -88.38 125.57 63.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 31.6 Cg_exo -61.51 134.28 50.42 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.559 2.173 . . . . 0.0 112.238 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.14 -29.56 46.4 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.344 2.696 . . . . 0.0 113.401 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.83 -18.95 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.066 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -110.57 20.96 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 110.746 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-30 -119.34 128.61 54.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.035 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -119.76 118.43 30.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.24 116.3 32.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.263 0.554 . . . . 0.0 111.569 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 13.2 mt -109.27 126.16 66.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.143 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -127.94 108.42 10.67 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.03 29.39 16.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.252 0.549 . . . . 0.0 110.5 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' HG3' ' B' ' 16' ' ' PRO . . . 89.67 -6.42 83.06 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.908 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -96.96 132.1 43.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.749 0.309 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.46 125.61 34.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.68 137.18 32.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.594 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 46.2 mt-10 -94.65 142.88 26.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.95 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.06 -37.16 71.42 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.81 21.42 5.56 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.899 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 31.1 mmt180 -121.1 168.69 11.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.299 0.549 . . . . 0.0 109.614 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.45 162.61 14.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.032 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 70.3 mt -62.59 -31.97 72.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.149 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -67.99 -23.49 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.581 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.78 -36.22 83.16 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 111.267 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -101.22 11.6 39.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 59.65 35.61 22.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.291 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.83 110.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.097 0.475 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -97.25 -169.92 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.583 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -71.51 158.86 35.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.407 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 61.17 30.08 19.14 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.121 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -96.56 137.65 35.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.049 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -105.12 120.78 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.587 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.19 154.95 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.393 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 5.7 m80 -102.26 112.39 25.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.512 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -93.35 116.65 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.104 0.478 . . . . 0.0 111.145 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.2 139.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 111.277 -179.487 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' B' ' 17' ' ' ILE . 25.3 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.85 126.29 32.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 mt -116.74 130.33 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -116.68 129.82 56.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.199 0.523 . . . . 0.0 111.859 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -99.85 91.34 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 11.47 1.54 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.014 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.65 -66.28 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -21.8 35.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.778 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.12 34.56 8.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -99.76 129.92 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.35 . . . . 0.0 110.67 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.62 120.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.798 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.35 148.93 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -147.69 6.71 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.846 -0.693 . . . . 0.0 114.232 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PRO . . . . . 0.401 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 95.4 Cg_endo -80.1 85.75 1.78 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.172 2.581 . . . . 0.0 114.102 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 70.5 mt -78.28 94.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 3.4 tp10 -66.09 133.12 50.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.215 0.531 . . . . 0.0 111.92 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.21 142.03 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.8 t -98.22 152.66 19.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -70.73 -15.47 62.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.898 0.38 . . . . 0.0 110.291 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.04 0.77 52.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.403 0.621 . . . . 0.0 110.305 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ttt -82.46 133.84 35.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.474 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.02 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.586 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -65.48 -32.45 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.181 0.515 . . . . 0.0 109.666 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -62.46 -37.03 84.35 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.37 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.66 -46.81 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.636 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.98 -43.93 94.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.586 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.5 mm -61.65 -39.85 84.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.25 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.941 0.401 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.34 -37.31 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.68 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.91 -35.57 81.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 44.7 mt-30 -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.59 -51.91 3.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.924 0.393 . . . . 0.0 111.103 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.617 ' SG ' HG13 ' B' ' 73' ' ' ILE . 39.8 t -66.59 -37.25 84.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.578 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.47 29.33 7.1 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -73.4 164.75 26.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 17.6 t70 -156.18 132.88 10.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -76.37 -4.09 40.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -27.56 10.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -140.24 45.02 1.87 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.5 m80 -156.56 148.26 22.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.32 123.71 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.429 HD11 ' HG ' ' B' ' 71' ' ' LEU . 33.1 tp -96.3 123.13 39.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -105.5 121.84 44.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.311 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.67 94.25 5.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 63.62 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.16 8.63 4.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.279 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.76 146.81 48.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.588 0.232 . . . . 0.0 111.176 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -90.36 132.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.4 101.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -91.9 163.79 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -64.08 -24.34 67.66 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.642 0.377 . . . . 0.0 111.97 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -77.77 -18.27 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.457 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -80.24 78.13 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -95.22 18.04 13.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 110.629 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -74.49 137.9 42.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.408 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -76.62 179.28 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.288 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.39 -45.78 69.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -67.44 -29.05 68.42 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.49 -36.03 19.26 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.889 0.376 . . . . 0.0 110.487 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.47 47.62 1.51 Allowed Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.911 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.86 138.94 41.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -55.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.03 4.41 34.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.317 0.579 . . . . 0.0 111.145 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.83 178.84 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.15 172.11 19.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 111.033 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' B' ' 45' ' ' LEU . 1.8 tp -130.29 136.24 48.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.597 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.31 134.93 53.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.878 0.371 . . . . 0.0 111.759 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.617 HG13 ' SG ' ' B' ' 36' ' ' CYS . 27.1 mm -104.18 112.08 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.704 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -132.34 -164.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 110.108 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.46 -123.71 7.78 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.61 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' B' ' 76' ' ' LYS . 27.9 mmmt 66.29 -99.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.075 0.55 . . . . 0.0 110.796 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.1 -52.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.872 0.368 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 61.83 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -171.03 -67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.627 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.8 0.334 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -112.31 134.81 53.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 pt -122.66 155.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.36 137.68 48.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.92 123.12 70.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -99.68 116.82 32.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -87.63 173.87 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 0.0 110.691 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD11 ' H ' ' A' ' 71' ' ' LEU . 11.9 mt -74.32 -1.18 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.289 0.566 . . . . 0.0 110.872 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 7.34 28.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.831 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' B' ' 49' ' ' MET . . . 73.92 16.15 79.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.233 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.2 pt . . . . . 0 C--O 1.234 0.278 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -115.24 137.48 51.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.599 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -131.76 138.43 48.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -90.76 122.07 33.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.134 0.493 . . . . 0.0 109.91 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.08 167.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.4 mm-40 -118.99 157.69 49.87 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.43 -22.85 44.16 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.302 2.002 . . . . 0.0 113.075 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.5 -2.81 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.731 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -74.83 134.97 41.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.76 159.36 23.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.426 179.157 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.61 -37.99 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.86 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.5 -38.5 91.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.073 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 56' ' ' LEU . 48.7 t -67.53 -38.79 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.004 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.66 -37.06 80.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.47 80.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.94 -38.56 72.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.846 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.69 -40.23 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.1 tt0 -67.39 -28.24 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.517 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.54 -42.25 74.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -87.22 -55.3 3.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.034 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -74.62 -40.56 61.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.687 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.65 7.85 62.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.785 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.47 129.0 54.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.132 0.173 . . . . 0.0 110.712 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.6 Cg_exo -57.42 137.57 82.15 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 122.896 2.397 . . . . 0.0 112.425 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.9 Cg_exo -57.74 -24.58 64.12 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.14 2.56 . . . . 0.0 112.514 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -26.28 65.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.17 9.01 40.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.843 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -100.87 128.46 46.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.563 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.95 105.17 8.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -95.79 122.38 38.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.226 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.497 HG12 HG21 ' B' ' 13' ' ' ILE . 3.3 mp -127.91 125.06 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -114.86 112.52 22.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.42 54.42 10.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.63 0.581 . . . . 0.0 111.859 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.47 -8.65 9.31 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.941 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -94.77 120.37 34.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.296 0.548 . . . . 0.0 110.805 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -80.9 122.87 27.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.06 131.43 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.363 . . . . 0.0 111.519 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -89.48 153.54 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.36 -42.92 92.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.464 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 45.16 3.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.646 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -142.1 161.8 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 48.3 p -105.91 162.28 13.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.718 0.294 . . . . 0.0 110.495 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD21 HG21 ' A' ' 26' ' ' VAL . 25.6 mt -62.25 -32.49 73.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.535 . . . . 0.0 111.19 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -21.97 61.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -67.52 -28.61 67.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -103.14 16.0 27.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.313 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 60.8 29.68 19.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.706 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -76.2 125.13 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -113.1 -161.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.683 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -82.21 156.59 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.19 24.56 14.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -84.0 145.69 28.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.7 m -107.45 107.78 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 0.0 111.429 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.43 148.55 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.852 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -104.85 125.97 51.43 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.67 114.0 27.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.512 . . . . 0.0 111.668 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -108.04 145.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.003 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' H ' HD11 ' A' ' 8' ' ' LEU . 60.8 mt . . . . . 0 C--N 1.323 -0.582 0 CA-C-O 121.009 0.433 . . . . 0.0 111.129 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.41 HD21 HD22 ' B' ' 71' ' ' LEU . 17.2 tp . . . . . 0 N--CA 1.445 -0.712 0 CA-C-O 120.744 0.307 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 40.4 m -71.73 98.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.47 139.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.808 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -140.35 146.53 38.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -120.16 131.05 54.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.358 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.95 -4.99 38.95 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.93 -45.59 88.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.03 10.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.47 41.1 4.89 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.661 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.63 131.16 52.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.468 . . . . 0.0 111.061 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 44' ' ' ILE . 39.8 mm -106.54 120.67 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.304 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -84.4 161.71 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.768 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.47 -176.4 50.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.623 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.19 116.2 3.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.196 2.597 . . . . 0.0 112.943 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.5 104.94 17.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.459 0.647 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -80.62 118.66 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.75 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.23 174.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.902 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -129.83 151.41 50.43 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.01 -15.17 61.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.046 0.451 . . . . 0.0 109.871 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.37 7.33 45.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.919 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.65 130.77 38.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 139.18 58.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.18 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.497 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -66.29 -28.51 68.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -32.95 73.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.39 -38.22 89.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.3 OUTLIER -64.74 -44.58 89.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.141 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 ' O ' ' B' ' 25' ' ' LEU . 49.7 mm -60.4 -38.26 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.875 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.67 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.87 -36.3 83.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.193 0.52 . . . . 0.0 110.218 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.85 -38.95 90.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 49.3 mt-30 -72.68 -22.27 60.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.38 -59.31 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.342 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.46 -61.88 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' B' ' 73' ' ' ILE . 48.1 t -71.03 -36.8 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.483 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.91 32.38 6.85 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.346 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 61.0 t80 -71.6 165.66 23.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.566 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -164.94 149.94 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.98 -1.38 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -83.05 -40.89 19.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.98 30.2 2.25 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.746 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 77.5 m80 -134.95 163.44 29.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -125.35 132.73 52.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.442 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 19.1 tp -101.46 110.32 22.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.484 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -96.76 133.22 41.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -127.27 110.88 13.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.126 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 64.3 -78.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.166 0.587 . . . . 0.0 110.824 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.489 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 23.4 ptm -149.4 13.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.463 . . . . 0.0 110.076 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -125.58 -175.76 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.837 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.32 143.62 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.52 79.3 7.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.278 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.15 158.51 35.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.939 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.6 -25.47 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.347 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -67.29 -21.7 65.68 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.022 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -86.29 88.32 7.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -96.8 24.99 5.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.258 0.551 . . . . 0.0 110.521 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -82.42 149.15 27.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.419 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.535 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.7 OUTLIER -80.91 174.04 12.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -52.97 -47.8 67.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -69.98 -15.26 63.01 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.708 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.92 -10.33 34.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -91.99 -4.46 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.642 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 29.79 42.33 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.956 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.14 157.71 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -161.03 -93.72 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.54 7.28 2.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.84 9.18 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.06 26.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.921 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.47 148.93 26.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.584 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.41 HD22 HD21 ' B' ' 3' ' ' LEU . 4.7 tp -128.39 130.74 48.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.67 130.19 56.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 0.0 111.336 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.609 HG13 ' SG ' ' B' ' 36' ' ' CYS . 41.1 mm -95.98 111.66 26.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.345 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -129.57 -165.24 1.5 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.992 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.41 -136.02 13.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.704 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 67.68 -117.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.125 0.57 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.55 -58.35 2.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 111.283 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.85 78.05 9.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.432 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -175.42 -68.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.147 0.498 . . . . 0.0 111.23 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.71 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -116.1 137.01 52.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.624 0.25 . . . . 0.0 110.663 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -123.77 159.19 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -117.68 114.53 23.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.119 0.485 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -104.39 119.42 53.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.877 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 68' ' ' ASP . 76.2 tttt -102.58 124.15 47.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.489 HG22 HD23 ' A' ' 69' ' ' LEU . 34.7 p -86.4 172.43 10.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.44 -15.96 63.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.57 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.68 0.16 48.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.17 8.95 84.73 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.59 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 122.755 -0.262 . . . . 0.0 110.385 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -97.76 134.97 40.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 HG12 ' A' ' 30' ' ' ILE . 43.5 mt -131.33 134.16 46.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.912 0.387 . . . . 0.0 111.744 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -87.18 108.09 18.76 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -133.5 175.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.3 mm-40 -137.4 160.23 66.28 Favored Pre-proline 0 C--N 1.316 -0.871 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.23 -33.7 56.0 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.676 2.25 . . . . 0.0 113.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.88 -10.06 59.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -65.39 126.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.238 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -78.92 152.47 31.1 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.53 -39.0 51.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 0.0 110.719 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -64.22 -37.95 89.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.152 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -65.42 -37.9 88.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 t -64.09 -42.17 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 44.5 mtmt -63.34 -34.09 76.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.452 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -30.5 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.125 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -75.41 -39.32 59.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.816 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 15' ' ' LEU . 55.6 mt -68.18 -39.0 80.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.33 0.586 . . . . 0.0 109.816 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.6 -25.21 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.057 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.3 -46.56 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.957 0.408 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -76.53 -49.13 17.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -85.55 -36.18 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.89 13.31 59.39 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.287 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -89.36 127.47 54.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.59 133.45 56.88 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.422 2.081 . . . . 0.0 112.305 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -58.8 -25.66 77.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.944 2.43 . . . . 0.0 113.135 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -4.72 52.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.679 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -114.84 10.17 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.052 0.453 . . . . 0.0 109.882 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 79.6 mt-30 -102.09 117.76 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.621 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -111.41 95.75 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.81 128.68 34.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.766 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 mt -123.15 129.93 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.953 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' A' ' 50' ' ' LEU . 41.8 t80 -124.19 113.47 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 42.7 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.335 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.501 ' CA ' ' HG3' ' B' ' 16' ' ' PRO . . . 76.82 6.07 84.86 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 114.082 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 139.28 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.387 0.593 . . . . 0.0 110.76 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -83.09 141.09 32.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.7 mt -100.15 133.81 44.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.458 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 31.7 mt-10 -80.85 151.28 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.831 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -44.01 94.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.36 45.4 2.6 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.968 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -130.02 161.73 30.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.029 0.414 . . . . 0.0 110.08 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -105.16 164.88 11.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.614 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 18' ' ' GLU . 71.4 mt -65.65 -31.51 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.483 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -67.88 -27.32 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' THR . 10.8 m-20 -59.95 -46.06 90.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -91.47 8.71 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.977 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.7 36.4 19.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.186 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.57 116.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.287 0.565 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -101.63 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -75.92 150.74 37.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 63.85 22.83 13.18 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.868 0.73 . . . . 0.0 111.977 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -76.13 139.83 41.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -97.46 117.11 30.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.597 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.53 148.0 30.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -103.76 118.68 37.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.236 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 7' ' ' THR . 58.3 tp -103.77 109.1 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.103 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.05 147.99 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.05 179.729 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.78 127.72 45.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.06 0.457 . . . . 0.0 111.62 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.58 130.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -118.52 126.08 51.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.121 0.486 . . . . 0.0 111.761 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.12 76.71 1.48 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.72 -6.08 7.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.676 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' B' ' 74' ' ' ARG . 61.0 mt -81.22 -24.77 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.61 -14.64 5.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.734 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.92 17.03 57.15 Favored Glycine 0 CA--C 1.508 -0.378 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.06 103.93 13.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 111.292 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.3 113.43 30.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.407 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -87.55 176.92 7.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.08 -168.67 39.23 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HG3' ' CA ' ' A' ' 47' ' ' GLY . 91.8 Cg_endo -88.15 121.01 1.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.929 2.419 . . . . 0.0 113.059 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.93 139.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -99.87 87.37 3.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.126 0.489 . . . . 0.0 109.82 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.45 -172.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t -151.16 157.97 43.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.4 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 61' ' ' LYS . 16.6 pt-20 -71.36 -18.19 62.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 109.954 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.34 -9.6 49.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.293 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 22.3 ttt -81.1 132.25 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.822 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.31 140.36 55.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -65.7 -35.03 79.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.693 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -64.16 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.27 -41.31 81.26 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.976 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 25' ' ' LEU . 50.0 mm -62.43 -38.7 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.922 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.32 86.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.1 mt -62.91 -38.62 91.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.015 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 1.1 tp -66.96 -37.33 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 42.9 mt-30 -71.76 -27.82 63.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.817 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.98 -55.97 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.46 -63.17 1.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.67 ' SG ' HG13 ' B' ' 73' ' ' ILE . 47.6 t -63.31 -32.08 73.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.91 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.25 29.44 11.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.158 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.85 160.79 30.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.983 0.42 . . . . 0.0 110.548 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 21.4 t70 -157.21 146.36 20.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -90.37 -3.96 57.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -17.02 13.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -136.92 21.32 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 3.4 m80 -150.54 141.48 22.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.99 0.424 . . . . 0.0 110.29 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.62 136.76 45.85 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.858 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.62 120.32 41.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.016 0.436 . . . . 0.0 110.162 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 12.1 m-85 -105.51 124.05 48.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -107.75 108.75 20.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.375 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 64.69 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.757 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 60.3 mtm -131.59 -1.9 3.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.903 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.73 -174.24 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.44 153.01 16.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -84.13 88.0 7.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.118 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -76.86 160.79 28.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -24.1 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -76.9 -10.22 59.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 0.0 110.552 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -89.3 68.01 7.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.941 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -86.77 9.31 19.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.471 0.653 . . . . 0.0 109.772 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.466 ' HB3' ' HB2' ' B' ' 62' ' ' GLU . 8.5 mt-30 -69.41 137.75 53.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.89 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.437 ' HA ' HD22 ' B' ' 25' ' ' LEU . 0.7 OUTLIER -76.43 177.43 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.44 -38.67 69.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 22.4 pttm -72.44 -23.59 61.09 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.697 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' B' ' 58' ' ' GLN . 0.5 OUTLIER -88.7 -39.89 13.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.293 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.54 -41.0 96.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.96 32.61 2.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.054 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.11 114.88 22.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -78.43 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.812 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 95.5 m -150.11 -39.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 7.3 p-10 -80.44 3.65 20.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.136 0.493 . . . . 0.0 111.282 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -78.71 160.82 27.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.897 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.19 159.08 44.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.734 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.61 128.12 42.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 4.9 mp -108.55 139.19 43.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.67 HG13 ' SG ' ' B' ' 36' ' ' CYS . 19.5 mm -106.87 117.77 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.404 ' HA ' HD11 ' B' ' 9' ' ' LEU . 42.0 mtp85 -135.46 -161.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.478 ' HA2' ' OG ' ' B' ' 80' ' ' SER . . . 99.21 -137.44 13.26 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.043 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 17.3 mmmt 72.13 -103.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.513 0.725 . . . . 0.0 111.117 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt -127.66 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.151 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.62 69.24 8.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.85 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -170.07 -71.8 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.238 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' SER . . . . . 0.478 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.815 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.02 -0.363 . . . . 2.93 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -109.78 142.45 41.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.818 -0.174 . . . . 2.98 110.811 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.72 161.46 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.747 -0.464 . . . . 2.13 109.747 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -116.92 120.64 39.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 3.08 111.098 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.84 120.35 62.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.053 -0.521 . . . . 1.55 109.964 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.9 mtpp -106.11 122.01 45.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.063 -0.517 . . . . 2.32 110.308 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -88.4 165.28 15.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 2.04 111.405 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -64.29 -19.04 65.15 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.075 -0.511 . . . . 2.45 111.323 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -6.96 59.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 3.37 111.236 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 46.32 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.873 -0.68 . . . . 2.64 112.412 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 51.9 mtpt -120.95 130.7 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.273 -0.269 . . . . 3.12 110.273 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.677 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.21 132.67 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.871 0.367 . . . . 2.75 110.662 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -100.78 127.92 47.03 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.624 -0.509 . . . . 3.08 109.624 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.3 mt -120.94 141.14 50.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.601 -0.272 . . . . 2.1 110.652 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -91.26 114.24 26.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.175 -0.676 . . . . 3.44 109.175 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -134.6 171.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.633 -0.712 . . . . 2.48 110.84 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.9 mm-40 -122.72 156.58 61.55 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 109.313 -0.625 . . . . 3.35 109.313 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -56.51 -25.23 57.4 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.137 1.891 . . . . 3.49 112.58 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.0 3.97 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.874 0.324 . . . . 3.7 111.874 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.48 146.37 48.63 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.607 0.241 . . . . 3.13 110.486 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -92.49 150.45 20.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.18 -0.464 . . . . 3.69 110.723 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.95 -43.86 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.09 110.55 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.591 . . . . 4.46 110.625 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 43.8 t30 -67.16 -38.16 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.497 . . . . 3.31 109.659 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 48.5 t -63.77 -41.02 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 2.47 109.672 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -61.88 -34.59 76.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.66 -0.7 . . . . 3.49 110.315 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.16 92.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 3.19 110.116 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 35.8 mttt -66.51 -37.79 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.811 -0.631 . . . . 2.54 109.988 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.43 -42.97 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.187 -0.671 . . . . 2.75 109.187 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.83 -38.76 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 4.28 110.941 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.53 -27.39 66.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.061 -0.518 . . . . 4.07 111.998 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -98.74 -48.16 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.948 0.721 . . . . 3.38 112.948 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.4 -34.97 21.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.255 . . . . 3.71 111.69 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.24 -2.41 65.58 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.546 -0.835 . . . . 4.28 112.611 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 71' ' ' LEU . 27.6 mt -77.17 124.13 87.17 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.621 -0.14 . . . . 3.66 110.621 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.5 Cg_exo -53.34 138.44 64.79 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.166 2.577 . . . . 4.53 113.164 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -56.42 -29.44 77.64 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.388 2.725 . . . . 3.95 113.53 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.33 -30.17 70.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 5.06 111.749 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -92.73 0.57 57.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.334 -0.394 . . . . 5.01 110.854 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -93.82 115.72 28.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 3.41 112.335 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -116.38 109.02 16.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.451 -0.944 . . . . 3.91 108.451 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 50' ' ' LEU . 25.8 mt -96.14 131.78 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 2.45 111.871 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.72 129.96 64.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 2.43 110.576 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.4 t80 -122.4 118.69 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 2.81 110.586 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 29.43 17.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.918 -0.583 . . . . 2.92 111.866 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -9.07 78.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.847 -0.692 . . . . 2.98 112.465 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -96.53 131.62 42.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.035 -0.357 . . . . 4.25 110.035 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -79.65 143.19 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.482 -0.327 . . . . 4.45 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.9 mt -105.66 129.9 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 3.38 111.157 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.34 142.45 27.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 5.2 110.388 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -39.41 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 4.23 110.659 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.98 43.55 3.25 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.739 -0.664 . . . . 4.86 113.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -141.47 166.24 25.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.428 -0.582 . . . . 5.69 109.428 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 18.8 p -110.45 170.69 7.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.688 0.28 . . . . 4.3 110.919 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -66.95 -38.77 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 3.35 111.242 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -20.39 65.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 4.25 110.94 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 55' ' ' THR . 17.7 m-20 -66.8 -34.87 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 4.72 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 96.9 m-85 -103.09 8.5 38.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.761 -0.654 . . . . 3.92 111.098 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 66.24 29.56 9.58 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.942 0.776 . . . . 4.83 111.264 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.41 115.2 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.147 -0.479 . . . . 3.32 109.954 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -105.91 -167.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 4.49 110.582 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -71.35 144.99 49.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 4.58 110.997 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 64.53 30.19 12.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 4.05 111.583 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -78.9 136.31 37.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.02 -0.363 . . . . 2.8 110.02 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -95.39 112.4 24.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.205 0.526 . . . . 2.27 111.065 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -106.8 151.49 25.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.718 -0.673 . . . . 1.64 110.213 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -113.56 127.85 56.23 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -105.32 108.03 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.81 110.859 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -98.26 136.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.501 -0.772 . . . . 2.76 109.486 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 36' ' ' ILE . 60.1 mt -105.64 119.66 39.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.297 -0.26 . . . . 3.76 110.297 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -75.62 87.61 2.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.373 0.606 . . . . 4.92 110.193 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.92 131.83 35.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.79 . . . . 5.51 110.12 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -27.56 50.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.118 -0.492 . . . . 7.78 110.824 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -114.06 164.51 12.06 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.794 -0.717 . . . . 7.03 111.481 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.631 -1.094 . . . . 9.25 111.927 179.492 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.392 -0.596 . . . . 1.62 109.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' B' ' 69' ' ' ASP . 33.5 tp -58.64 110.93 1.09 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.85 111.621 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.5 m -104.63 90.5 3.52 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.145 -0.934 . . . . 1.13 110.322 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.411 ' O ' ' HD1' ' B' ' 14' ' ' TYR . 5.2 mt -88.89 119.22 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.39 -0.596 . . . . 1.12 109.39 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.37 106.52 9.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.048 0.452 . . . . 1.3 110.791 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -91.83 85.05 5.48 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.581 -0.896 . . . . 1.27 108.581 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 8' ' ' GLU . 3.1 mm-40 -74.85 2.44 10.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 2.53 112.225 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.76 -32.7 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.935 -0.765 . . . . 1.46 108.935 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.65 -6.36 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 1.95 110.36 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.54 31.42 60.82 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.944 -0.571 . . . . 1.46 112.173 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -107.12 120.11 41.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 2.73 111.12 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.08 138.26 30.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.719 -0.845 . . . . 1.48 108.719 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.473 ' CE2' ' HA ' ' B' ' 36' ' ' CYS . 13.3 m-85 -105.86 171.04 7.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.883 0.373 . . . . 1.33 111.145 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.71 161.72 48.27 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 1.35 112.404 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.34 112.07 3.44 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.719 2.279 . . . . 1.53 111.847 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -93.1 144.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 1.32 110.199 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -88.5 121.32 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.854 -0.425 . . . . 3.01 109.854 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 m -109.0 161.52 7.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.177 -0.465 . . . . 1.32 111.25 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -135.36 159.23 42.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 1.53 109.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.45 -28.59 63.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.896 0.379 . . . . 1.79 110.721 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.42 -4.64 57.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 2.33 110.609 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 28.0 ttt -79.03 127.83 32.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.014 -0.539 . . . . 1.35 110.038 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.41 146.78 54.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 1.4 111.265 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.499 ' O ' HG12 ' B' ' 29' ' ' ILE . 25.5 tp -64.67 -43.85 92.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.871 -0.604 . . . . 1.38 109.668 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -30.66 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.26 111.719 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.15 -43.02 88.2 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.228 -0.656 . . . . 1.65 109.228 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.48 -42.24 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.02 109.216 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 25' ' ' LEU . 38.2 mm -60.96 -36.88 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.95 110.054 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.78 80.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 1.31 110.037 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.86 -38.19 87.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.289 0.566 . . . . 1.46 109.875 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 5.0 tp -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 1.01 110.936 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 41.1 mt-30 -75.3 -21.12 58.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 1.42 111.658 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.44 -63.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.126 0.417 . . . . 1.47 112.126 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.43 -57.9 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.904 -0.589 . . . . 1.56 112.1 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.66 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.5 t -70.12 -37.35 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.194 -0.457 . . . . 1.21 111.711 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.31 21.49 17.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.881 -0.676 . . . . 1.18 111.708 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 53.7 t80 -65.57 158.31 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.706 -0.479 . . . . 1.05 109.706 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 10.4 t70 -145.45 137.05 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.272 -0.64 . . . . 1.63 109.272 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -88.45 4.96 44.63 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.941 0.348 . . . . 1.71 111.941 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -44.61 2.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.651 0.262 . . . . 1.51 111.539 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -119.87 41.78 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 1.99 111.889 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 1.6 m80 -159.24 151.2 20.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.879 -0.415 . . . . 1.32 109.879 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -116.3 127.13 54.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.152 0.501 . . . . 1.18 109.989 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.516 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 34.3 tp -94.79 118.69 32.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.199 -0.455 . . . . 0.65 111.339 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 5.2 m-30 -98.93 109.89 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.177 0.513 . . . . 1.6 109.961 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -97.52 103.78 15.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.774 -0.648 . . . . 2.06 109.915 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 67.22 -78.81 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.687 0.617 . . . . 2.27 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mtm -145.56 18.24 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.728 0.299 . . . . 1.57 110.949 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -138.1 171.0 15.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.395 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.05 142.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.872 0.368 . . . . 1.56 110.867 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.42 89.51 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.97 110.062 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.66 162.65 17.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.633 -0.712 . . . . 1.21 111.104 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -60.56 -24.52 65.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.903 0.382 . . . . 1.0 111.325 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -67.34 -27.22 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.89 110.01 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -88.99 68.34 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 1.69 110.338 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.9 t -88.98 5.2 45.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.98 -0.554 . . . . 1.09 110.413 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -67.82 146.47 53.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 1.32 110.442 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -77.4 176.63 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.475 -0.329 . . . . 1.11 110.87 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' B' ' 65' ' ' LEU . 55.5 mt -56.79 -44.93 82.37 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.424 0.527 . . . . 1.19 112.424 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -70.6 -2.99 16.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.023 0.379 . . . . 1.45 112.023 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.05 -33.09 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 1.68 110.951 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -29.54 70.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 1.27 110.009 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.19 47.12 0.77 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.803 -0.713 . . . . 1.23 112.635 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 60' ' ' LEU . 2.8 mt -75.87 143.73 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.496 -0.557 . . . . 1.53 109.496 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -141.52 -155.68 0.61 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.154 -0.475 . . . . 1.83 110.867 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -24.78 67.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 2.36 111.735 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.95 104.69 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.025 -0.534 . . . . 1.39 110.428 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 3' ' ' LEU . 8.7 p-10 -118.69 122.21 41.96 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.57 -0.741 . . . . 2.28 109.596 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.448 HD13 ' H ' ' B' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 140.01 49.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 1.14 111.62 -179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.83 123.39 37.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.203 -0.908 . . . . 0.64 109.911 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 66.7 mt -106.21 130.25 54.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.046 0.45 . . . . 1.14 110.521 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.66 HG13 ' SG ' ' B' ' 36' ' ' CYS . 33.0 mm -98.98 117.59 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.69 -0.686 . . . . 0.84 110.745 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.595 ' HD3' ' OD1' ' B' ' 79' ' ' ASN . 1.6 mtt180 -142.03 -163.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.199 -0.455 . . . . 1.89 110.478 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.58 -117.87 5.85 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.755 -0.736 . . . . 1.24 112.21 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt 69.02 -99.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 122.996 0.519 . . . . 1.5 111.296 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 45.7 mt -121.08 -80.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.709 -0.223 . . . . 1.94 111.099 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.3 m -79.93 75.94 6.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.212 0.529 . . . . 2.24 111.061 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASN . . . . . 0.595 ' OD1' ' HD3' ' B' ' 74' ' ' ARG . 0.2 OUTLIER -178.5 -45.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.165 -0.925 . . . . 1.77 109.134 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.474 -0.774 . . . . 1.68 110.442 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.71 0.29 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -105.14 138.84 40.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.227 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -129.07 164.8 30.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.5 m-85 -120.84 118.05 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -97.96 121.8 48.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.142 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -98.61 122.86 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.385 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -89.02 169.08 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.67 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.005 0.431 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.988 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -0.49 71.47 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.21 137.26 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.629 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.1 122.55 52.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.36 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 129.22 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -133.55 139.25 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 111.679 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -91.29 115.84 28.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.29 162.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 59.5 mm-40 -117.78 156.48 49.73 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.09 -32.65 87.41 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.356 2.037 . . . . 0.0 112.597 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -91.05 19.97 5.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -91.83 128.41 37.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 152.74 40.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 50' ' ' LEU . 42.3 mm -58.8 -38.23 71.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 110.325 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -59.89 -32.08 70.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.553 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.12 -41.03 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.182 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.9 t -61.38 -45.42 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.272 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 23.1 mtmt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.93 83.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.216 0.532 . . . . 0.0 109.955 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -69.82 -35.3 74.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.824 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 61.3 mt -70.46 -37.7 71.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -63.51 -33.38 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.556 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.27 -29.44 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.65 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 111.838 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -80.98 -37.05 29.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.13 0.8 67.64 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.01 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -78.47 126.17 83.43 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 122.897 -0.178 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.1 Cg_exo -50.59 136.75 41.44 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.759 2.306 . . . . 0.0 112.07 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 28.1 Cg_exo -60.98 -19.03 61.07 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.788 2.325 . . . . 0.0 112.676 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.56 -36.32 76.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.801 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.15 9.69 34.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.37 107.85 20.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 111.307 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -107.6 110.85 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.774 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.53 124.64 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 111.388 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.15 132.6 71.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.205 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.23 105.28 7.81 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.803 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.52 38.82 22.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.41 -24.99 13.96 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.13 132.44 45.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -86.96 117.18 25.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.543 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 23' ' ' ILE . 11.1 mp -83.07 125.36 31.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.07 0.462 . . . . 0.0 111.157 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -103.91 147.06 27.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.99 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.74 -37.9 71.65 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 42.23 3.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.165 -0.54 . . . . 0.0 113.395 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -139.51 163.33 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 6.5 p -107.73 173.73 6.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.439 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.1 mt -71.23 -37.22 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.661 0.267 . . . . 0.0 111.478 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -17.49 63.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -62.01 -36.39 81.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.654 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 72.2 m-85 -103.71 6.54 36.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 67.27 37.43 3.62 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.826 0.704 . . . . 0.0 111.54 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.8 mt -77.47 120.22 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.926 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -108.58 -167.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.696 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -74.02 149.31 41.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.277 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 67.6 14.1 9.46 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.011 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -75.4 140.03 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -103.21 119.85 39.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.703 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.25 149.67 24.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.794 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.83 114.9 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.909 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 tp -100.94 104.48 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.83 146.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.6 mt -99.13 -170.97 2.0 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.35 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 105.84 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.01 133.65 49.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.072 0.463 . . . . 0.0 110.478 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -133.21 12.95 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.31 126.12 7.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.666 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.077 -1.402 . . . . 0.0 111.008 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.4 t0 . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 120.834 0.35 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.467 HD22 HG11 ' B' ' 19' ' ' VAL . 49.8 tp -100.5 91.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 115.43 22.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.006 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.92 126.22 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.669 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -115.81 123.32 47.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 111.926 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.68 80.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.66 -2.37 35.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.495 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.86 -39.7 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.228 0.537 . . . . 0.0 110.157 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -111.08 -7.32 14.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.155 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.53 11.15 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.591 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.7 120.97 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -99.28 136.84 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.84 153.22 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.701 0.286 . . . . 0.0 110.806 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.6 138.6 48.3 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.424 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.4 135.01 67.88 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.201 2.601 . . . . 0.0 111.815 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.47 141.52 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -89.66 112.67 23.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.615 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.537 HG12 HD21 ' B' ' 28' ' ' LEU . 19.5 m -103.16 164.15 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -135.58 159.18 42.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.66 -20.95 60.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -91.06 -4.69 56.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.0 ttt -80.29 128.67 33.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.63 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 134.72 53.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -60.51 -30.08 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.48 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.954 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.83 -38.79 89.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.394 0.616 . . . . 0.0 109.547 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.537 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -63.03 -43.78 97.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.712 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' B' ' 33' ' ' GLN . 46.8 mm -64.04 -40.71 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.141 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.68 76.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.23 -42.23 99.12 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.5 -40.16 86.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 43.2 mt-30 -74.26 -35.21 63.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.846 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.54 -31.39 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.79 -59.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.628 ' SG ' HG13 ' B' ' 73' ' ' ILE . 45.6 t -76.92 -14.28 59.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.696 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.69 24.54 58.21 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.05 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 71.3 t80 -66.5 159.25 27.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.795 0.331 . . . . 0.0 110.415 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.02 145.74 25.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -104.04 30.79 4.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.4 -40.28 2.49 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.275 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -138.59 31.01 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 0.0 111.235 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.18 147.56 47.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.159 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -112.66 127.56 56.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.486 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 30.6 tp -94.76 120.48 35.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.777 0.322 . . . . 0.0 110.589 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -105.91 112.55 25.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.206 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.67 123.79 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 62.14 -83.32 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 28.0 ttm -149.91 17.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.65 179.5 5.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.488 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -115.49 139.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.758 0.313 . . . . 0.0 110.335 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -73.46 95.18 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.118 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -85.47 159.7 19.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.437 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -61.14 -28.96 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -72.73 -17.67 61.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -81.89 71.55 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.1 t -92.83 14.81 16.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.306 0.574 . . . . 0.0 109.734 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' B' ' 58' ' ' GLN . 7.2 mt-30 -75.19 147.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.209 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.8 OUTLIER -81.44 175.58 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.952 0.406 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.48 -40.6 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.917 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -71.79 -9.7 58.68 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -104.42 -36.5 7.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.13 -26.62 64.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.559 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.96 17.17 35.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.577 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.26 114.8 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.491 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 0.0 OUTLIER -93.84 176.03 6.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.15 0.5 . . . . 0.0 110.958 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -20.15 65.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.722 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.82 19.12 20.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.7 179.38 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.563 0.22 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.84 176.57 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.468 . . . . 0.0 111.697 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.75 126.16 16.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.204 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.67 136.91 52.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.2 0.524 . . . . 0.0 111.985 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.628 HG13 ' SG ' ' B' ' 36' ' ' CYS . 44.6 mm -107.75 112.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.046 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -136.62 -172.55 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.566 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 109.4 -132.56 11.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.716 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.6 mmmt 73.43 -100.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.138 0.575 . . . . 0.0 112.229 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.05 -81.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.74 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -90.18 90.19 7.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -169.28 -66.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' SER . . . . . 0.416 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.616 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.751 0.31 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -106.59 132.92 52.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -121.95 160.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.14 107.6 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.49 125.33 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 94.0 mttt -111.59 125.38 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 5.6 p -91.72 173.4 7.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.76 -28.15 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -7.92 54.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.11 29.02 32.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.735 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 47.4 mtpt -95.38 131.92 40.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.582 ' CAC' ' CAA' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -101.94 112.57 35.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.071 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -81.84 127.65 33.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.747 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.3 144.44 51.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.803 0.335 . . . . 0.0 111.218 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.75 108.01 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 0.0 109.752 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.34 171.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.451 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.9 mm-40 -127.95 156.64 75.76 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.88 -24.76 40.32 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.403 2.069 . . . . 0.0 112.572 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.51 4.03 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.996 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -88.41 140.29 29.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 155.55 20.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 51.6 mm -59.39 -41.57 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.396 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.93 -38.97 76.88 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.013 0.435 . . . . 0.0 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.51 -36.89 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.936 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.08 -39.46 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.2 mmmm -60.37 -39.65 88.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.926 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.78 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.532 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.39 -39.0 91.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.03 0.443 . . . . 0.0 110.342 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.34 -37.34 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 55.7 tt0 -63.37 -33.52 75.71 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.431 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.21 -46.12 82.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.352 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -84.82 -58.01 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -71.83 -35.44 69.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 83.09 43.97 7.3 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.224 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.0 mt -122.25 128.37 25.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.9 Cg_exo -55.72 138.84 82.49 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.634 2.222 . . . . 0.0 112.28 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -59.13 -24.62 74.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.924 2.416 . . . . 0.0 112.903 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -21.53 58.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.122 0.487 . . . . 0.0 111.294 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.47 10.6 40.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.022 0.439 . . . . 0.0 110.013 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -112.71 126.51 55.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.665 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -122.15 102.8 8.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.52 129.83 34.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.59 133.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -129.03 114.39 16.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.29 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.82 47.79 17.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.874 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.71 15.74 75.83 Favored Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.418 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -123.06 121.45 36.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.018 0.409 . . . . 0.0 110.731 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' HG13 ' B' ' 13' ' ' ILE . 29.4 tt0 -74.68 135.9 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -94.88 125.75 39.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 27.3 mt-10 -86.65 138.43 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.49 -40.76 62.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.2 36.54 3.18 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.823 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 23.7 mmt180 -130.09 167.33 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.043 0.422 . . . . 0.0 110.164 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.82 159.56 15.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.151 0.501 . . . . 0.0 110.495 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -20.46 62.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.082 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.92 -27.09 63.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 0.0 110.487 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.83 8.26 34.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 62.67 34.45 14.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.606 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -76.17 123.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.98 0.419 . . . . 0.0 110.311 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -111.87 -160.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.247 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -76.98 149.24 35.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.706 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 63.36 31.26 15.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.034 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 m -85.43 129.44 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.221 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.92 115.18 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.32 133.83 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -93.58 119.93 33.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 38.9 tp -108.05 111.99 24.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.447 . . . . 0.0 111.143 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.46 133.83 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.688 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.42 129.26 37.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -115.92 112.77 22.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.43 166.46 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -109.17 -14.22 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.242 0.544 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.46 128.43 4.49 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.844 -0.976 . . . . 0.0 112.049 -179.833 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 121.02 0.438 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 13.0 tp -90.39 82.51 5.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 50.8 m -64.14 107.55 1.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.096 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.51 129.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.46 128.75 51.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.17 0.509 . . . . 0.0 111.652 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -95.56 107.26 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -84.06 3.84 32.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.3 -45.76 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.966 0.412 . . . . 0.0 110.338 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -3.53 18.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.471 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 53.07 27.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.843 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -116.43 137.91 51.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.455 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 49' ' ' GLN . 42.9 mm -112.29 120.98 63.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.45 159.26 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.096 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.3 173.14 16.01 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.53 -0.759 . . . . 0.0 114.094 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.33 86.99 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.319 2.68 . . . . 0.0 112.53 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.75 133.0 32.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.157 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -104.34 123.54 47.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -117.34 176.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.77 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.8 t -140.71 153.54 45.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.014 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.81 -18.56 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.046 0.45 . . . . 0.0 110.303 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.53 -0.87 57.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.43 128.61 37.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.736 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.24 136.83 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.275 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.509 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.4 pt? -62.05 -27.69 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.707 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.69 95.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.47 -36.84 83.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.056 0.455 . . . . 0.0 109.95 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -67.26 -41.35 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.589 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 25' ' ' LEU . 41.4 mm -61.62 -38.13 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.577 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -51.37 68.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.263 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.23 -38.1 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.272 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 -37.88 89.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.756 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -72.46 -36.81 68.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.2 -50.69 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.31 -65.25 1.03 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.4 t -64.19 -38.9 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.601 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.53 31.87 6.57 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.598 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 62.8 t80 -75.88 154.66 35.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.965 0.412 . . . . 0.0 110.429 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.599 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 14.0 t70 -139.92 137.37 34.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.66 1.4 53.83 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.84 8.99 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.45 34.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.147 0.499 . . . . 0.0 110.951 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 10.1 m80 -155.24 154.68 32.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.824 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -115.44 112.73 22.73 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.412 0.445 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 36.3 tp -84.53 115.66 22.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.843 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' B' ' 51' ' ' ILE . 43.3 m-85 -101.74 115.42 30.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.188 0.518 . . . . 0.0 111.078 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 120.74 42.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 64.43 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.5 mtm -144.39 2.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.257 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -124.51 170.43 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.0 110.819 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.403 HG12 ' CE2' ' B' ' 46' ' ' TYR . 8.0 mt -93.6 145.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.3 OUTLIER -77.72 90.39 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -80.7 160.1 25.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.003 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -25.79 64.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.368 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -71.75 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.483 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -91.08 67.73 5.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.766 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.3 t -87.73 -0.59 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.466 0.65 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' B' ' 62' ' ' GLU . 1.1 pt20 -64.66 138.8 58.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.371 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.487 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 72.8 m -78.29 -179.96 6.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.4 mt -48.81 -51.23 30.5 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.487 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -62.23 -21.17 64.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 58' ' ' GLN . 6.0 mt-10 -94.81 -36.95 11.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.216 -0.303 . . . . 0.0 111.099 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.56 -26.31 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.31 0.37 31.21 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.678 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.45 147.33 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.809 0.338 . . . . 0.0 110.168 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.526 ' HG2' ' H ' ' B' ' 67' ' ' THR . 0.1 OUTLIER -127.85 -76.14 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.712 -178.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 1.2 m -161.29 -24.15 0.05 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.703 0.287 . . . . 0.0 111.356 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.54 25.67 10.45 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.96 -174.59 4.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.15 168.37 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.833 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -144.37 137.3 27.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mp -117.57 134.2 55.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.398 . . . . 0.0 111.021 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.543 HG13 ' SG ' ' B' ' 36' ' ' CYS . 43.0 mm -105.91 114.68 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.539 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -134.04 -160.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' B' ' 79' ' ' ASN . . . 111.34 -141.96 16.75 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.082 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 29.3 mmmt 67.71 -163.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.909 0.385 . . . . 0.0 110.56 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.86 -57.9 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 84.52 7.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' B' ' 75' ' ' GLY . 6.5 t30 178.28 -70.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.106 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.265 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.8 ptt? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -98.29 134.47 41.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -131.96 164.65 34.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' HB3' ' SG ' ' A' ' 12' ' ' 3X9 . 87.9 m-85 -125.14 134.84 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.4 t -119.57 112.11 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 4.0 mmtp -90.39 118.61 30.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.741 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -83.12 172.19 12.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.132 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.94 -11.54 60.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.95 -10.33 36.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.305 0.574 . . . . 0.0 110.539 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.74 4.93 54.34 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -79.3 143.09 35.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.668 ' CAD' ' CAB' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 13' ' ' ILE . 4.4 mt -75.97 131.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.41 120.46 35.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.952 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.53 142.94 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.826 0.346 . . . . 0.0 111.517 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -112.43 92.79 4.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 1' ' ' MET . 10.5 m -130.57 163.92 34.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.124 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.0 mm-40 -107.36 158.77 32.32 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.67 -17.55 36.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 0.0 112.715 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.01 1.43 47.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.825 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.93 148.71 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -88.08 151.71 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.175 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -59.06 -44.68 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.52 -37.43 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.51 -41.94 92.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' THR . 61.3 t -63.03 -41.65 93.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.006 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.33 -35.35 78.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.7 84.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 0.0 109.935 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.75 -31.72 66.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.76 -38.19 78.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -63.12 -30.03 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.319 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -74.53 -27.35 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.178 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -97.04 -46.86 6.02 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.85 -22.0 19.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.62 26.6 64.91 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.637 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -104.3 123.28 41.11 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 77.4 Cg_exo -50.38 136.33 39.71 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.773 2.316 . . . . 0.0 112.696 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 11.6 Cg_exo -67.8 -5.92 15.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.72 2.28 . . . . 0.0 112.456 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.88 -13.02 46.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -118.62 16.27 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 109.774 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -100.72 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.066 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -109.64 104.75 13.82 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.04 119.46 32.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.16 0.505 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.95 127.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.715 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -115.84 99.14 7.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 49.05 9.08 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.385 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.6 -19.24 25.41 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.561 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -94.12 119.7 33.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.017 0.409 . . . . 0.0 111.215 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -80.38 133.84 35.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.86 149.77 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.544 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -102.32 151.91 21.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.773 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.31 -49.03 78.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.683 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.86 50.52 4.42 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.037 -0.602 . . . . 0.0 113.99 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -138.89 164.66 29.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.05 158.63 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.186 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.1 mt -59.26 -33.65 71.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.465 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -66.7 -24.58 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.598 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -93.2 14.45 18.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.415 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 60.05 33.68 21.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.823 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -75.56 118.54 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -110.35 -163.13 0.84 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -75.82 151.74 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.32 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 66.74 19.4 10.74 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.817 0.698 . . . . 0.0 111.963 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -80.15 129.08 34.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.779 0.323 . . . . 0.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 14.4 m -104.17 117.27 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.48 160.05 15.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.996 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 122.46 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.757 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -104.69 110.93 23.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.13 153.16 9.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.246 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.7 -165.02 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.134 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.24 65.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.43 126.43 29.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 74' ' ' ARG . 47.2 mtm105 -113.66 126.65 55.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.857 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.11 -155.73 23.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.904 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.331 -1.26 . . . . 0.0 111.657 -179.869 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t0 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.297 0.57 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' B' ' 16' ' ' PRO . 18.2 tp -71.04 125.89 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -109.72 115.22 29.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.364 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -108.61 130.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -136.09 143.23 44.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -134.71 91.71 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -80.42 12.05 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.05 -31.6 61.33 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.22 3.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.434 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.5 54.23 6.9 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.374 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -108.87 102.05 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.097 0.475 . . . . 0.0 110.831 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mm -90.82 113.03 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.103 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' B' ' 36' ' ' CYS . 28.5 m-85 -91.31 140.58 29.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.28 148.07 51.14 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.939 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' B' ' 3' ' ' LEU . 12.3 Cg_endo -57.11 130.42 39.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.417 2.745 . . . . 0.0 112.4 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.42 146.97 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -101.72 110.88 22.96 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.715 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 m -92.71 179.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.882 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.4 t -146.63 155.68 42.64 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.075 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.52 -12.56 60.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -99.3 4.09 46.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.244 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.0 ttt -89.35 135.66 33.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.03 135.23 44.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' B' ' 26' ' ' THR . 0.6 OUTLIER -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.499 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.418 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -65.64 -34.43 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 8.0 t70 -68.58 -38.84 81.02 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.33 -43.74 93.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.808 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.95 -39.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.797 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.43 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 84.7 mt -60.69 -40.02 90.61 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.376 0.608 . . . . 0.0 109.896 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 4.7 mp -65.82 -41.77 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.25 -19.98 60.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.49 -63.02 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.94 -55.18 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.542 ' SG ' HG13 ' B' ' 73' ' ' ILE . 3.6 t -66.44 -28.41 68.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.493 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.29 21.1 55.7 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.396 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 45.0 t80 -65.74 157.22 30.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.117 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 6.2 t70 -148.67 132.15 16.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.087 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -84.8 21.69 1.51 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.007 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -117.31 -57.55 2.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -116.58 12.52 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.2 m80 -121.86 147.45 45.97 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.953 -0.467 . . . . 0.0 109.982 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -109.06 136.47 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 44.3 tp -105.91 128.8 54.02 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' B' ' 74' ' ' ARG . 12.1 m-85 -118.66 128.19 54.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.893 0.378 . . . . 0.0 111.595 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.44 109.51 19.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t30 65.16 -78.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.747 0.654 . . . . 0.0 111.091 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 8.1 mtm -148.97 21.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -132.68 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.675 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.3 mt -87.45 135.59 25.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.38 94.61 3.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.275 0.56 . . . . 0.0 110.39 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.74 165.76 13.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.203 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.0 -26.08 67.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.675 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.21 -15.24 62.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -96.73 46.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.535 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -79.97 40.13 0.46 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.84 0.829 . . . . 0.0 110.297 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.14 146.51 24.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.17 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -73.76 169.72 16.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.207 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.25 -29.75 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.374 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -78.65 -5.2 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.343 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.02 -37.96 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.15 -36.62 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.506 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.26 29.61 2.94 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.089 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.36 146.77 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -157.79 -67.7 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 111.227 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -158.48 -45.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.216 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 12.3 p-10 -89.59 34.18 0.83 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.669 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.427 ' C ' HD13 ' B' ' 70' ' ' LEU . 0.6 OUTLIER -100.54 167.74 10.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.427 HD13 ' C ' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -156.33 152.63 27.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -129.82 131.94 46.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.83 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -116.32 135.68 53.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.508 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.542 HG13 ' SG ' ' B' ' 36' ' ' CYS . 11.2 mm -102.49 124.01 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.351 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.472 ' HB2' ' CE1' ' B' ' 46' ' ' TYR . 44.1 mtp85 -139.35 -159.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 104.83 -133.81 11.73 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.519 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.1 mmmt 71.47 -102.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.056 0.542 . . . . 0.0 111.456 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.2 mt -129.86 -58.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 111.405 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.47 60.06 5.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.721 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -165.68 -58.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.721 -0.657 . . . . 0.0 110.971 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptt? . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -109.6 141.73 41.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -130.75 162.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.397 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.0 m-85 -117.42 134.18 55.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.222 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.83 121.22 67.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.723 0.297 . . . . 0.0 110.579 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -97.04 123.59 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.195 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -92.33 175.76 6.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.94 -8.45 56.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.065 0.46 . . . . 0.0 110.86 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -99.66 -5.32 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.01 45.95 6.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.601 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -103.66 153.6 20.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 110.802 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.629 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -95.65 121.99 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.883 0.373 . . . . 0.0 111.494 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -98.1 127.53 44.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.984 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -128.11 140.47 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -88.41 113.91 24.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.7 m -138.05 164.37 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.502 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.4 mm-40 -120.73 161.91 37.46 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -36.09 79.7 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.317 2.011 . . . . 0.0 113.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 9.92 20.47 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.5 t0 -75.7 133.9 40.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.794 0.331 . . . . 0.0 110.13 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.46 148.32 31.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 41.9 mm -59.13 -40.93 82.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.461 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.4 -36.59 76.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.625 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 58.1 t30 -66.93 -35.78 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.245 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 37.1 t -66.38 -38.44 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 3.3 mmmm -61.32 -37.06 81.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.697 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.39 78.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 49.7 mttt -68.84 -37.69 79.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.087 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.9 mt -68.21 -33.78 62.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 121.354 0.597 . . . . 0.0 109.614 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.5 tt0 -64.46 -31.94 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.302 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -74.22 -35.71 63.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 63.5 mmtt -81.65 -63.31 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.163 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.68 -32.61 31.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 89.88 9.88 65.46 Favored Glycine 0 N--CA 1.458 0.124 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.4 mt -87.14 130.41 48.14 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.5 Cg_exo -56.12 131.49 46.22 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.595 2.196 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 67.8 Cg_exo -55.05 -26.71 51.36 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 123.271 2.647 . . . . 0.0 113.1 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.1 65.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.338 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -99.98 -1.32 37.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 80.1 mt-30 -92.2 124.4 36.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.807 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -91.07 126.27 36.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 127.73 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.494 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -131.01 124.06 30.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.505 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.54 39.4 11.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.486 0.491 . . . . 0.0 111.31 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 17.43 72.26 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.315 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -131.08 138.03 49.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.81 0.305 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.46 139.92 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -93.69 143.5 26.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.08 -20.69 65.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.571 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.01 26.61 14.0 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -133.49 171.57 13.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.13 170.02 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.358 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 18' ' ' GLU . 85.4 mt -63.55 -35.46 80.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -71.82 -12.58 61.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -77.28 -11.44 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.542 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.38 10.34 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.716 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 63.88 32.28 13.39 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.854 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -75.66 128.0 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.48 -165.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.671 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -75.74 148.82 38.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.721 0.296 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 64.81 17.38 10.96 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.432 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -75.69 145.25 41.09 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' B' ' 68' ' ' ASP . 3.4 m -109.99 127.58 54.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.251 0.548 . . . . 0.0 111.433 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.42 160.28 15.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -114.45 120.73 41.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -102.67 115.15 30.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 111.661 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.08 133.93 53.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.554 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 mt -107.2 137.63 44.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -162.71 143.21 9.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.01 173.99 9.95 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.331 0.395 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.859 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.03 121.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.705 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.782 0 CA-C-O 118.829 -0.984 . . . . 0.0 111.635 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.965 0.412 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 tp -129.48 80.74 1.98 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 114.9 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.85 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -103.11 128.17 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -124.38 119.98 30.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.063 0.458 . . . . 0.0 111.687 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASN . . . . . 0.469 ' HA ' ' HB ' ' B' ' 73' ' ' ILE . 47.2 t30 -90.46 100.61 13.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.34 -7.02 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.526 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.67 -42.34 70.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.381 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -5.75 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.26 59.11 2.46 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.859 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -118.11 123.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.458 0.17 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -105.04 123.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -95.67 170.93 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.831 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.91 -169.0 30.19 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.988 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -88.67 102.55 0.41 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.479 2.786 . . . . 0.0 113.506 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 23.4 mt -83.07 118.6 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -81.98 101.04 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -82.59 176.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.465 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t -145.98 148.07 32.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.144 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.2 -7.7 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.499 . . . . 0.0 110.786 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.28 3.96 36.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.03 128.68 37.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.747 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.81 53.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 29' ' ' ILE . 2.6 pt? -60.77 -27.74 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.532 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -33.63 76.18 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.087 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 23.2 t70 -71.79 -37.19 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.0 -41.89 94.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.36 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.0 mm -66.77 -33.98 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.905 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.82 96.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.935 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 32.0 mt -68.19 -39.83 82.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.77 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 12.5 tp -62.97 -40.09 96.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -75.14 -28.22 60.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.91 -55.35 4.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.28 -56.49 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 73' ' ' ILE . 50.7 t -66.32 -23.88 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.5 28.25 33.41 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.752 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 49.1 t80 -73.4 168.22 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -158.74 146.54 17.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -93.82 10.1 34.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -66.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.867 0.365 . . . . 0.0 111.457 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.66 51.52 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.0 110.874 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.36 151.55 26.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -128.21 138.07 52.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 48.8 tp -112.08 132.94 54.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.861 0.363 . . . . 0.0 110.812 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.76 130.85 53.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.139 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -107.32 109.26 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 65.13 -77.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.609 0.568 . . . . 0.0 110.79 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -145.74 8.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -112.91 165.66 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.441 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.89 140.64 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.193 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 52' ' ' LEU . 1.1 mm? -82.26 87.37 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ARG . 19.6 t70 -73.84 163.03 28.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 47.8 m -62.77 -28.84 70.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.707 0.289 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.13 -6.62 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.062 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' B' ' 53' ' ' ASP . 16.2 mmt180 -79.11 62.39 3.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -84.53 31.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.907 0.86 . . . . 0.0 110.316 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -98.76 125.0 43.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.959 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.496 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 1.1 m -73.41 178.36 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.541 0.21 . . . . 0.0 111.066 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -46.8 -52.87 13.17 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.496 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -65.31 -24.06 67.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.26 -34.02 22.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.658 0.266 . . . . 0.0 110.541 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.88 -32.17 63.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.485 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.01 12.65 25.31 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.373 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.409 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 0.7 OUTLIER -60.09 123.71 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.261 -0.47 . . . . 0.0 110.642 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.529 ' NZ ' ' OAH' ' A' ' 12' ' ' 3X9 . 0.5 OUTLIER -116.19 -171.59 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.653 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -79.03 10.67 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 3.2 p30 -132.45 16.02 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.984 0.356 . . . . 0.0 111.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.409 ' OD2' ' HA ' ' B' ' 65' ' ' LEU . 11.5 m-20 -85.08 -171.99 3.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.021 0.439 . . . . 0.0 111.794 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.94 157.51 29.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.081 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -120.77 132.21 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.93 122.43 45.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.272 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.476 HG13 ' SG ' ' B' ' 36' ' ' CYS . 12.0 mm -101.47 112.19 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.934 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -138.75 -158.44 0.86 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -135.48 12.28 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.27 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 71.06 -101.39 0.04 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.336 0.654 . . . . 0.0 111.875 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -73.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.584 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 67.62 2.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.425 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -168.41 -66.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.937 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.124 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.699 0.285 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.36 133.88 50.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -127.75 160.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.65 143.08 46.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.563 0.221 . . . . 0.0 110.739 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.13 123.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 110.241 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -96.12 123.48 39.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -88.14 178.07 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.386 0.429 . . . . 0.0 110.526 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.61 8.55 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.304 0.573 . . . . 0.0 110.381 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.1 8.36 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.754 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.3 12.76 83.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.787 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -86.86 151.59 23.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.569 ' CAA' ' CAC' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 pt -102.88 138.6 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -95.54 127.2 41.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD11 HG12 ' A' ' 30' ' ' ILE . 82.1 mt -118.92 132.05 56.07 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.987 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -88.66 112.13 22.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.01 -177.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.298 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -142.16 161.26 51.62 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.82 -39.1 68.47 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 113.212 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.74 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -81.82 134.68 35.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.121 0.486 . . . . 0.0 110.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.91 144.18 43.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.818 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.81 -33.91 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.12 -38.6 79.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.226 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.03 -38.59 88.81 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.782 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.7 t -61.77 -43.51 97.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.494 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 4.3 mmmm -61.82 -40.8 96.51 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.01 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.17 85.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.607 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -37.54 87.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.152 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG12 HD11 ' A' ' 15' ' ' LEU . 60.8 mt -71.93 -34.02 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -67.12 -34.67 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.939 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.5 -32.48 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -92.35 -54.04 3.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.31 -33.22 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.08 10.72 58.3 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.763 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 42.7 mt -88.38 125.57 63.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 31.6 Cg_exo -61.51 134.28 50.42 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.559 2.173 . . . . 0.0 112.238 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.14 -29.56 46.4 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.344 2.696 . . . . 0.0 113.401 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.83 -18.95 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.066 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -110.57 20.96 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 110.746 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-30 -119.34 128.61 54.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.035 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -119.76 118.43 30.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.24 116.3 32.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.263 0.554 . . . . 0.0 111.569 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 13.2 mt -109.27 126.16 66.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.143 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -127.94 108.42 10.67 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.03 29.39 16.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.252 0.549 . . . . 0.0 110.5 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' HG3' ' B' ' 16' ' ' PRO . . . 89.67 -6.42 83.06 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.908 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -96.96 132.1 43.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.749 0.309 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.46 125.61 34.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.68 137.18 32.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.594 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 46.2 mt-10 -94.65 142.88 26.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.95 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.06 -37.16 71.42 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.81 21.42 5.56 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.899 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 31.1 mmt180 -121.1 168.69 11.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.299 0.549 . . . . 0.0 109.614 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.45 162.61 14.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.032 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 70.3 mt -62.59 -31.97 72.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.149 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -67.99 -23.49 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.581 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.78 -36.22 83.16 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 111.267 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -101.22 11.6 39.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 59.65 35.61 22.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.291 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.83 110.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.097 0.475 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -97.25 -169.92 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.583 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -71.51 158.86 35.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.407 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 61.17 30.08 19.14 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.121 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -96.56 137.65 35.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.049 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -105.12 120.78 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.587 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.19 154.95 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.393 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 5.7 m80 -102.26 112.39 25.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.512 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -93.35 116.65 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.104 0.478 . . . . 0.0 111.145 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.2 139.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -95.83 163.61 13.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 111.277 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -109.55 78.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.819 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -93.65 151.37 19.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.231 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -84.83 -26.15 27.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.945 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.11 -171.88 39.79 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.579 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.863 0 CA-C-O 119.057 -0.857 . . . . 0.0 111.298 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' B' ' 17' ' ' ILE . 25.3 tp -142.16 95.39 2.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.85 126.29 32.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 mt -116.74 130.33 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -116.68 129.82 56.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.199 0.523 . . . . 0.0 111.859 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -99.85 91.34 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 11.47 1.54 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.014 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.65 -66.28 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -21.8 35.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.778 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.12 34.56 8.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -99.76 129.92 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.35 . . . . 0.0 110.67 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.62 120.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.798 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.35 148.93 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -147.69 6.71 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.846 -0.693 . . . . 0.0 114.232 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.401 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 95.4 Cg_endo -80.1 85.75 1.78 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.172 2.581 . . . . 0.0 114.102 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 70.5 mt -78.28 94.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 3.4 tp10 -66.09 133.12 50.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.215 0.531 . . . . 0.0 111.92 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.21 142.03 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.8 t -98.22 152.66 19.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -70.73 -15.47 62.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.898 0.38 . . . . 0.0 110.291 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.04 0.77 52.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.403 0.621 . . . . 0.0 110.305 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ttt -82.46 133.84 35.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.474 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.02 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.586 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -65.48 -32.45 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.181 0.515 . . . . 0.0 109.666 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -62.46 -37.03 84.35 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.37 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.66 -46.81 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.636 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.98 -43.93 94.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.586 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.5 mm -61.65 -39.85 84.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.25 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.941 0.401 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.34 -37.31 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.68 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.91 -35.57 81.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 44.7 mt-30 -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.59 -51.91 3.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.924 0.393 . . . . 0.0 111.103 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.617 ' SG ' HG13 ' B' ' 73' ' ' ILE . 39.8 t -66.59 -37.25 84.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.578 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.47 29.33 7.1 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -73.4 164.75 26.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 17.6 t70 -156.18 132.88 10.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -76.37 -4.09 40.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -27.56 10.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -140.24 45.02 1.87 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.5 m80 -156.56 148.26 22.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.32 123.71 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.429 HD11 ' HG ' ' B' ' 71' ' ' LEU . 33.1 tp -96.3 123.13 39.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -105.5 121.84 44.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.311 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.67 94.25 5.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 63.62 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.16 8.63 4.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.279 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.76 146.81 48.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.588 0.232 . . . . 0.0 111.176 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -90.36 132.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.4 101.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -91.9 163.79 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -64.08 -24.34 67.66 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.642 0.377 . . . . 0.0 111.97 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -77.77 -18.27 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.457 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -80.24 78.13 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -95.22 18.04 13.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 110.629 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -74.49 137.9 42.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.408 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -76.62 179.28 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.288 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.39 -45.78 69.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -67.44 -29.05 68.42 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.49 -36.03 19.26 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.889 0.376 . . . . 0.0 110.487 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.47 47.62 1.51 Allowed Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.911 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.86 138.94 41.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.434 ' NZ ' ' OAH' ' A' ' 12' ' ' 3X9 . 0.4 OUTLIER -138.07 -55.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.03 4.41 34.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.317 0.579 . . . . 0.0 111.145 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.83 178.84 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.15 172.11 19.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 111.033 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' B' ' 45' ' ' LEU . 1.8 tp -130.29 136.24 48.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.597 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.31 134.93 53.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.878 0.371 . . . . 0.0 111.759 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.617 HG13 ' SG ' ' B' ' 36' ' ' CYS . 27.1 mm -104.18 112.08 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.704 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -132.34 -164.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 110.108 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.46 -123.71 7.78 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.61 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' B' ' 76' ' ' LYS . 27.9 mmmt 66.29 -99.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.075 0.55 . . . . 0.0 110.796 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.1 -52.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.872 0.368 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 61.83 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -171.03 -67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.627 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.8 0.334 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -112.31 134.81 53.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 pt -122.66 155.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.36 137.68 48.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.92 123.12 70.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -99.68 116.82 32.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -87.63 173.87 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 0.0 110.691 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD11 ' H ' ' A' ' 71' ' ' LEU . 11.9 mt -74.32 -1.18 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.289 0.566 . . . . 0.0 110.872 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 7.34 28.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.831 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' B' ' 49' ' ' MET . . . 73.92 16.15 79.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.233 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -91.14 110.89 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.679 ' CAD' ' CAB' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.2 pt -109.24 164.86 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.405 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -115.24 137.48 51.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.599 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -131.76 138.43 48.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -90.76 122.07 33.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.134 0.493 . . . . 0.0 109.91 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.08 167.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.4 mm-40 -118.99 157.69 49.87 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.43 -22.85 44.16 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.302 2.002 . . . . 0.0 113.075 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.5 -2.81 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.731 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -74.83 134.97 41.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.76 159.36 23.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.426 179.157 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.61 -37.99 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.86 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.5 -38.5 91.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.073 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 56' ' ' LEU . 48.7 t -67.53 -38.79 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.004 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.66 -37.06 80.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.47 80.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.94 -38.56 72.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.846 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.69 -40.23 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.1 tt0 -67.39 -28.24 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.517 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.54 -42.25 74.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -87.22 -55.3 3.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.034 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -74.62 -40.56 61.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.687 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.65 7.85 62.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.785 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.47 129.0 54.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.132 0.173 . . . . 0.0 110.712 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.6 Cg_exo -57.42 137.57 82.15 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 122.896 2.397 . . . . 0.0 112.425 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.9 Cg_exo -57.74 -24.58 64.12 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.14 2.56 . . . . 0.0 112.514 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -26.28 65.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.17 9.01 40.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.843 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -100.87 128.46 46.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.563 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.95 105.17 8.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -95.79 122.38 38.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.226 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.497 HG12 HG21 ' B' ' 13' ' ' ILE . 3.3 mp -127.91 125.06 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -114.86 112.52 22.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.42 54.42 10.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.63 0.581 . . . . 0.0 111.859 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.47 -8.65 9.31 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.941 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -94.77 120.37 34.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.296 0.548 . . . . 0.0 110.805 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -80.9 122.87 27.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.06 131.43 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.363 . . . . 0.0 111.519 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -89.48 153.54 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.36 -42.92 92.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.464 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 45.16 3.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.646 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -142.1 161.8 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 48.3 p -105.91 162.28 13.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.718 0.294 . . . . 0.0 110.495 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD21 HG21 ' A' ' 26' ' ' VAL . 25.6 mt -62.25 -32.49 73.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.535 . . . . 0.0 111.19 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -21.97 61.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -67.52 -28.61 67.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -103.14 16.0 27.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.313 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 60.8 29.68 19.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.706 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -76.2 125.13 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -113.1 -161.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.683 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -82.21 156.59 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.19 24.56 14.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -84.0 145.69 28.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.7 m -107.45 107.78 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 0.0 111.429 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.43 148.55 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.852 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -104.85 125.97 51.43 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.67 114.0 27.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.512 . . . . 0.0 111.668 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -108.04 145.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.003 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' H ' HD11 ' A' ' 8' ' ' LEU . 60.8 mt -99.0 169.28 9.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.009 0.433 . . . . 0.0 111.129 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -102.52 93.73 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.309 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 tp -78.23 127.44 32.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.66 101.5 10.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.956 0.408 . . . . 0.0 110.41 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.72 -159.02 11.47 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.846 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.73 -1.039 . . . . 0.0 111.703 -179.767 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.41 HD21 HD22 ' B' ' 71' ' ' LEU . 17.2 tp -84.17 87.35 7.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 40.4 m -71.73 98.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.47 139.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.808 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -140.35 146.53 38.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -120.16 131.05 54.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.358 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.95 -4.99 38.95 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.93 -45.59 88.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.03 10.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.47 41.1 4.89 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.661 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.63 131.16 52.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.468 . . . . 0.0 111.061 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 44' ' ' ILE . 39.8 mm -106.54 120.67 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.304 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -84.4 161.71 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.768 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.47 -176.4 50.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.623 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.19 116.2 3.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.196 2.597 . . . . 0.0 112.943 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.5 104.94 17.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.459 0.647 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -80.62 118.66 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.75 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.23 174.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.902 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -129.83 151.41 50.43 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.01 -15.17 61.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.046 0.451 . . . . 0.0 109.871 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.37 7.33 45.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.919 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.65 130.77 38.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 139.18 58.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.18 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.497 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -66.29 -28.51 68.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -32.95 73.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.39 -38.22 89.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.3 OUTLIER -64.74 -44.58 89.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.141 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 ' O ' ' B' ' 25' ' ' LEU . 49.7 mm -60.4 -38.26 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.875 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.67 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.87 -36.3 83.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.193 0.52 . . . . 0.0 110.218 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.85 -38.95 90.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 49.3 mt-30 -72.68 -22.27 60.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.38 -59.31 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.342 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.46 -61.88 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' B' ' 73' ' ' ILE . 48.1 t -71.03 -36.8 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.483 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.91 32.38 6.85 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.346 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 61.0 t80 -71.6 165.66 23.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.566 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -164.94 149.94 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.98 -1.38 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -83.05 -40.89 19.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.98 30.2 2.25 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.746 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 77.5 m80 -134.95 163.44 29.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -125.35 132.73 52.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.442 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 19.1 tp -101.46 110.32 22.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.484 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -96.76 133.22 41.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -127.27 110.88 13.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.126 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 64.3 -78.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.166 0.587 . . . . 0.0 110.824 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.489 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 23.4 ptm -149.4 13.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.463 . . . . 0.0 110.076 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -125.58 -175.76 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.837 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.32 143.62 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.52 79.3 7.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.278 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.15 158.51 35.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.939 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.6 -25.47 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.347 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -67.29 -21.7 65.68 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.022 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -86.29 88.32 7.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -96.8 24.99 5.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.258 0.551 . . . . 0.0 110.521 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -82.42 149.15 27.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.419 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.535 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.7 OUTLIER -80.91 174.04 12.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -52.97 -47.8 67.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -69.98 -15.26 63.01 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.92 -10.33 34.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -91.99 -4.46 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.642 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 29.79 42.33 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.956 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.14 157.71 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -161.03 -93.72 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.54 7.28 2.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.84 9.18 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.06 26.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.921 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.47 148.93 26.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.584 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.41 HD22 HD21 ' B' ' 3' ' ' LEU . 4.7 tp -128.39 130.74 48.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.67 130.19 56.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 0.0 111.336 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.609 HG13 ' SG ' ' B' ' 36' ' ' CYS . 41.1 mm -95.98 111.66 26.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.345 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -129.57 -165.24 1.5 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.992 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.41 -136.02 13.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.704 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 67.68 -117.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.125 0.57 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.55 -58.35 2.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 111.283 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.85 78.05 9.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.432 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -175.42 -68.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.147 0.498 . . . . 0.0 111.23 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.71 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -116.1 137.01 52.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.624 0.25 . . . . 0.0 110.663 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -123.77 159.19 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -117.68 114.53 23.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.119 0.485 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -104.39 119.42 53.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.877 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 68' ' ' ASP . 76.2 tttt -102.58 124.15 47.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.489 HG22 HD23 ' A' ' 69' ' ' LEU . 34.7 p -86.4 172.43 10.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.44 -15.96 63.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.57 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.68 0.16 48.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.17 8.95 84.73 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.59 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -89.05 135.85 33.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.755 -0.262 . . . . 0.0 110.385 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' 3X9 . . . . . 0.679 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 tp -95.11 140.94 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.904 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -97.76 134.97 40.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 HG12 ' A' ' 30' ' ' ILE . 43.5 mt -131.33 134.16 46.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.912 0.387 . . . . 0.0 111.744 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -87.18 108.09 18.76 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -133.5 175.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.3 mm-40 -137.4 160.23 66.28 Favored Pre-proline 0 C--N 1.316 -0.871 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.23 -33.7 56.0 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.676 2.25 . . . . 0.0 113.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.88 -10.06 59.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -65.39 126.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.238 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -78.92 152.47 31.1 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.53 -39.0 51.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 0.0 110.719 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -64.22 -37.95 89.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.152 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -65.42 -37.9 88.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 t -64.09 -42.17 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 44.5 mtmt -63.34 -34.09 76.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.452 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -30.5 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.125 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -75.41 -39.32 59.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.816 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 15' ' ' LEU . 55.6 mt -68.18 -39.0 80.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.33 0.586 . . . . 0.0 109.816 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.6 -25.21 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.057 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.3 -46.56 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.957 0.408 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -76.53 -49.13 17.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -85.55 -36.18 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.89 13.31 59.39 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.287 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -89.36 127.47 54.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.59 133.45 56.88 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.422 2.081 . . . . 0.0 112.305 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -58.8 -25.66 77.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.944 2.43 . . . . 0.0 113.135 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -4.72 52.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.679 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -114.84 10.17 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.052 0.453 . . . . 0.0 109.882 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 79.6 mt-30 -102.09 117.76 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.621 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -111.41 95.75 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.81 128.68 34.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.766 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 mt -123.15 129.93 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.953 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' A' ' 50' ' ' LEU . 41.8 t80 -124.19 113.47 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 42.7 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.335 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.501 ' CA ' ' HG3' ' B' ' 16' ' ' PRO . . . 76.82 6.07 84.86 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 114.082 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 139.28 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.387 0.593 . . . . 0.0 110.76 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -83.09 141.09 32.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.7 mt -100.15 133.81 44.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.458 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 31.7 mt-10 -80.85 151.28 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.831 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -44.01 94.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.36 45.4 2.6 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.968 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -130.02 161.73 30.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.029 0.414 . . . . 0.0 110.08 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -105.16 164.88 11.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.614 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 18' ' ' GLU . 71.4 mt -65.65 -31.51 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.483 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -67.88 -27.32 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' THR . 10.8 m-20 -59.95 -46.06 90.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -91.47 8.71 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.977 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.7 36.4 19.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.186 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.57 116.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.287 0.565 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -101.63 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -75.92 150.74 37.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 63.85 22.83 13.18 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.868 0.73 . . . . 0.0 111.977 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -76.13 139.83 41.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -97.46 117.11 30.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.597 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.53 148.0 30.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -103.76 118.68 37.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.236 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 7' ' ' THR . 58.3 tp -103.77 109.1 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.103 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.05 147.99 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.9 mt -97.63 178.23 5.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.05 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.99 104.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.12 123.38 16.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -118.71 12.58 13.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.396 0.617 . . . . 0.0 110.136 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.37 50.04 0.81 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.315 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.046 0 CA-C-O 118.733 -1.037 . . . . 0.0 111.466 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 121.218 0.532 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 tp -78.86 106.69 11.06 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.78 127.72 45.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.06 0.457 . . . . 0.0 111.62 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.58 130.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -118.52 126.08 51.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.121 0.486 . . . . 0.0 111.761 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.12 76.71 1.48 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.72 -6.08 7.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.676 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' B' ' 74' ' ' ARG . 61.0 mt -81.22 -24.77 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.61 -14.64 5.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.734 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.92 17.03 57.15 Favored Glycine 0 CA--C 1.508 -0.378 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.06 103.93 13.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 111.292 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.3 113.43 30.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.407 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -87.55 176.92 7.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.08 -168.67 39.23 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HG3' ' CA ' ' A' ' 47' ' ' GLY . 91.8 Cg_endo -88.15 121.01 1.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.929 2.419 . . . . 0.0 113.059 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.93 139.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -99.87 87.37 3.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.126 0.489 . . . . 0.0 109.82 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.45 -172.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t -151.16 157.97 43.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.4 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 61' ' ' LYS . 16.6 pt-20 -71.36 -18.19 62.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 109.954 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.34 -9.6 49.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.293 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 22.3 ttt -81.1 132.25 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.822 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.31 140.36 55.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -65.7 -35.03 79.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.693 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -64.16 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.27 -41.31 81.26 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.976 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 25' ' ' LEU . 50.0 mm -62.43 -38.7 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.922 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.32 86.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.1 mt -62.91 -38.62 91.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.015 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 1.1 tp -66.96 -37.33 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 42.9 mt-30 -71.76 -27.82 63.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.817 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.98 -55.97 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.46 -63.17 1.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.67 ' SG ' HG13 ' B' ' 73' ' ' ILE . 47.6 t -63.31 -32.08 73.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.91 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.25 29.44 11.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.158 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.85 160.79 30.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.983 0.42 . . . . 0.0 110.548 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 21.4 t70 -157.21 146.36 20.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -90.37 -3.96 57.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -17.02 13.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -136.92 21.32 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 3.4 m80 -150.54 141.48 22.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.99 0.424 . . . . 0.0 110.29 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.62 136.76 45.85 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.858 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.62 120.32 41.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.016 0.436 . . . . 0.0 110.162 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 12.1 m-85 -105.51 124.05 48.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -107.75 108.75 20.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.375 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 64.69 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.757 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 60.3 mtm -131.59 -1.9 3.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.903 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.73 -174.24 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.44 153.01 16.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -84.13 88.0 7.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.118 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -76.86 160.79 28.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -24.1 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -76.9 -10.22 59.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 0.0 110.552 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -89.3 68.01 7.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.941 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -86.77 9.31 19.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.471 0.653 . . . . 0.0 109.772 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.466 ' HB3' ' HB2' ' B' ' 62' ' ' GLU . 8.5 mt-30 -69.41 137.75 53.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.89 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.437 ' HA ' HD22 ' B' ' 25' ' ' LEU . 0.7 OUTLIER -76.43 177.43 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.44 -38.67 69.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 22.4 pttm -72.44 -23.59 61.09 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.697 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' B' ' 58' ' ' GLN . 0.5 OUTLIER -88.7 -39.89 13.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.293 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.54 -41.0 96.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.96 32.61 2.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.054 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.11 114.88 22.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -78.43 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.812 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 95.5 m -150.11 -39.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 7.3 p-10 -80.44 3.65 20.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.136 0.493 . . . . 0.0 111.282 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -78.71 160.82 27.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.897 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.19 159.08 44.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.734 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.61 128.12 42.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 4.9 mp -108.55 139.19 43.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.67 HG13 ' SG ' ' B' ' 36' ' ' CYS . 19.5 mm -106.87 117.77 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.404 ' HA ' HD11 ' B' ' 9' ' ' LEU . 42.0 mtp85 -135.46 -161.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.478 ' HA2' ' OG ' ' B' ' 80' ' ' SER . . . 99.21 -137.44 13.26 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.043 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 17.3 mmmt 72.13 -103.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.513 0.725 . . . . 0.0 111.117 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt -127.66 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.151 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.62 69.24 8.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.85 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -170.07 -71.8 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.238 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' SER . . . . . 0.478 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.815 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.02 -0.363 . . . . 2.93 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -109.78 142.45 41.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.818 -0.174 . . . . 2.98 110.811 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.72 161.46 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.747 -0.464 . . . . 2.13 109.747 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -116.92 120.64 39.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 3.08 111.098 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.84 120.35 62.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.053 -0.521 . . . . 1.55 109.964 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.9 mtpp -106.11 122.01 45.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.063 -0.517 . . . . 2.32 110.308 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -88.4 165.28 15.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 2.04 111.405 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -64.29 -19.04 65.15 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.075 -0.511 . . . . 2.45 111.323 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -6.96 59.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 3.37 111.236 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 46.32 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.873 -0.68 . . . . 2.64 112.412 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 51.9 mtpt . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 110.273 -0.269 . . . . 3.12 110.273 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.871 0.367 . . . . 2.75 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -100.78 127.92 47.03 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.624 -0.509 . . . . 3.08 109.624 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.3 mt -120.94 141.14 50.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.601 -0.272 . . . . 2.1 110.652 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -91.26 114.24 26.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.175 -0.676 . . . . 3.44 109.175 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -134.6 171.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.633 -0.712 . . . . 2.48 110.84 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.9 mm-40 -122.72 156.58 61.55 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 109.313 -0.625 . . . . 3.35 109.313 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -56.51 -25.23 57.4 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.137 1.891 . . . . 3.49 112.58 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.0 3.97 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.874 0.324 . . . . 3.7 111.874 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.48 146.37 48.63 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.607 0.241 . . . . 3.13 110.486 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -92.49 150.45 20.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.18 -0.464 . . . . 3.69 110.723 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.95 -43.86 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.09 110.55 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.591 . . . . 4.46 110.625 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 43.8 t30 -67.16 -38.16 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.497 . . . . 3.31 109.659 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 48.5 t -63.77 -41.02 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 2.47 109.672 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -61.88 -34.59 76.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.66 -0.7 . . . . 3.49 110.315 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.16 92.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 3.19 110.116 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 35.8 mttt -66.51 -37.79 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.811 -0.631 . . . . 2.54 109.988 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.43 -42.97 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.187 -0.671 . . . . 2.75 109.187 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.83 -38.76 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 4.28 110.941 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.53 -27.39 66.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.061 -0.518 . . . . 4.07 111.998 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -98.74 -48.16 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.948 0.721 . . . . 3.38 112.948 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.4 -34.97 21.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.255 . . . . 3.71 111.69 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.24 -2.41 65.58 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.546 -0.835 . . . . 4.28 112.611 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 71' ' ' LEU . 27.6 mt -77.17 124.13 87.17 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.621 -0.14 . . . . 3.66 110.621 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.5 Cg_exo -53.34 138.44 64.79 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.166 2.577 . . . . 4.53 113.164 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -56.42 -29.44 77.64 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.388 2.725 . . . . 3.95 113.53 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.33 -30.17 70.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 5.06 111.749 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -92.73 0.57 57.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.334 -0.394 . . . . 5.01 110.854 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -93.82 115.72 28.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 3.41 112.335 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -116.38 109.02 16.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.451 -0.944 . . . . 3.91 108.451 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 50' ' ' LEU . 25.8 mt -96.14 131.78 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 2.45 111.871 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.72 129.96 64.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 2.43 110.576 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.4 t80 -122.4 118.69 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 2.81 110.586 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 29.43 17.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.918 -0.583 . . . . 2.92 111.866 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -9.07 78.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.847 -0.692 . . . . 2.98 112.465 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -96.53 131.62 42.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.035 -0.357 . . . . 4.25 110.035 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -79.65 143.19 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.482 -0.327 . . . . 4.45 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.9 mt -105.66 129.9 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 3.38 111.157 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.34 142.45 27.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 5.2 110.388 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -39.41 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 4.23 110.659 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.98 43.55 3.25 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.739 -0.664 . . . . 4.86 113.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -141.47 166.24 25.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.428 -0.582 . . . . 5.69 109.428 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 18.8 p -110.45 170.69 7.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.688 0.28 . . . . 4.3 110.919 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -66.95 -38.77 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 3.35 111.242 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -20.39 65.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 4.25 110.94 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 55' ' ' THR . 17.7 m-20 -66.8 -34.87 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 4.72 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 96.9 m-85 -103.09 8.5 38.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.761 -0.654 . . . . 3.92 111.098 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 66.24 29.56 9.58 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.942 0.776 . . . . 4.83 111.264 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.41 115.2 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.147 -0.479 . . . . 3.32 109.954 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -105.91 -167.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 4.49 110.582 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -71.35 144.99 49.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 4.58 110.997 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 64.53 30.19 12.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 4.05 111.583 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -78.9 136.31 37.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.02 -0.363 . . . . 2.8 110.02 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -95.39 112.4 24.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.205 0.526 . . . . 2.27 111.065 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -106.8 151.49 25.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.718 -0.673 . . . . 1.64 110.213 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -113.56 127.85 56.23 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -105.32 108.03 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.81 110.859 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -98.26 136.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.501 -0.772 . . . . 2.76 109.486 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 36' ' ' ILE . 60.1 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 110.297 -0.26 . . . . 3.76 110.297 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' B' ' 69' ' ' ASP . 33.5 tp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.147 0.498 . . . . 0.85 111.621 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.5 m -104.63 90.5 3.52 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.145 -0.934 . . . . 1.13 110.322 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.411 ' O ' ' HD1' ' B' ' 14' ' ' TYR . 5.2 mt -88.89 119.22 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.39 -0.596 . . . . 1.12 109.39 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.37 106.52 9.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.048 0.452 . . . . 1.3 110.791 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -91.83 85.05 5.48 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.581 -0.896 . . . . 1.27 108.581 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 8' ' ' GLU . 3.1 mm-40 -74.85 2.44 10.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 2.53 112.225 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.76 -32.7 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.935 -0.765 . . . . 1.46 108.935 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.65 -6.36 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 1.95 110.36 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.54 31.42 60.82 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.944 -0.571 . . . . 1.46 112.173 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -107.12 120.11 41.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 2.73 111.12 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.08 138.26 30.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.719 -0.845 . . . . 1.48 108.719 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.473 ' CE2' ' HA ' ' B' ' 36' ' ' CYS . 13.3 m-85 -105.86 171.04 7.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.883 0.373 . . . . 1.33 111.145 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.71 161.72 48.27 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 1.35 112.404 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.34 112.07 3.44 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.719 2.279 . . . . 1.53 111.847 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -93.1 144.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 1.32 110.199 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -88.5 121.32 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.854 -0.425 . . . . 3.01 109.854 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 m -109.0 161.52 7.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.177 -0.465 . . . . 1.32 111.25 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -135.36 159.23 42.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 1.53 109.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.45 -28.59 63.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.896 0.379 . . . . 1.79 110.721 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.42 -4.64 57.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 2.33 110.609 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 28.0 ttt -79.03 127.83 32.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.014 -0.539 . . . . 1.35 110.038 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.41 146.78 54.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 1.4 111.265 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.499 ' O ' HG12 ' B' ' 29' ' ' ILE . 25.5 tp -64.67 -43.85 92.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.871 -0.604 . . . . 1.38 109.668 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -30.66 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.26 111.719 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.15 -43.02 88.2 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.228 -0.656 . . . . 1.65 109.228 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.48 -42.24 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.02 109.216 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 25' ' ' LEU . 38.2 mm -60.96 -36.88 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.95 110.054 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.78 80.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 1.31 110.037 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.86 -38.19 87.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.289 0.566 . . . . 1.46 109.875 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 5.0 tp -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 1.01 110.936 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 41.1 mt-30 -75.3 -21.12 58.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 1.42 111.658 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.44 -63.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.126 0.417 . . . . 1.47 112.126 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.43 -57.9 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.904 -0.589 . . . . 1.56 112.1 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.66 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.5 t -70.12 -37.35 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.194 -0.457 . . . . 1.21 111.711 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.31 21.49 17.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.881 -0.676 . . . . 1.18 111.708 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 53.7 t80 -65.57 158.31 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.706 -0.479 . . . . 1.05 109.706 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 10.4 t70 -145.45 137.05 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.272 -0.64 . . . . 1.63 109.272 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -88.45 4.96 44.63 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.941 0.348 . . . . 1.71 111.941 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -44.61 2.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.651 0.262 . . . . 1.51 111.539 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -119.87 41.78 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 1.99 111.889 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 1.6 m80 -159.24 151.2 20.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.879 -0.415 . . . . 1.32 109.879 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -116.3 127.13 54.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.152 0.501 . . . . 1.18 109.989 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.516 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 34.3 tp -94.79 118.69 32.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.199 -0.455 . . . . 0.65 111.339 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 5.2 m-30 -98.93 109.89 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.177 0.513 . . . . 1.6 109.961 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -97.52 103.78 15.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.774 -0.648 . . . . 2.06 109.915 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 67.22 -78.81 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.687 0.617 . . . . 2.27 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mtm -145.56 18.24 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.728 0.299 . . . . 1.57 110.949 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -138.1 171.0 15.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.395 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.05 142.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.872 0.368 . . . . 1.56 110.867 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.42 89.51 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.97 110.062 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.66 162.65 17.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.633 -0.712 . . . . 1.21 111.104 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -60.56 -24.52 65.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.903 0.382 . . . . 1.0 111.325 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -67.34 -27.22 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.89 110.01 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -88.99 68.34 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 1.69 110.338 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.9 t -88.98 5.2 45.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.98 -0.554 . . . . 1.09 110.413 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -67.82 146.47 53.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 1.32 110.442 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -77.4 176.63 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.475 -0.329 . . . . 1.11 110.87 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' B' ' 65' ' ' LEU . 55.5 mt -56.79 -44.93 82.37 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.424 0.527 . . . . 1.19 112.424 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -70.6 -2.99 16.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.023 0.379 . . . . 1.45 112.023 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.05 -33.09 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 1.68 110.951 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -29.54 70.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 1.27 110.009 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.19 47.12 0.77 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.803 -0.713 . . . . 1.23 112.635 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 60' ' ' LEU . 2.8 mt -75.87 143.73 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.496 -0.557 . . . . 1.53 109.496 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -141.52 -155.68 0.61 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.154 -0.475 . . . . 1.83 110.867 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -24.78 67.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 2.36 111.735 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.95 104.69 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.025 -0.534 . . . . 1.39 110.428 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 3' ' ' LEU . 8.7 p-10 -118.69 122.21 41.96 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.57 -0.741 . . . . 2.28 109.596 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.448 HD13 ' H ' ' B' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 140.01 49.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 1.14 111.62 -179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.83 123.39 37.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.203 -0.908 . . . . 0.64 109.911 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 66.7 mt -106.21 130.25 54.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.046 0.45 . . . . 1.14 110.521 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.66 HG13 ' SG ' ' B' ' 36' ' ' CYS . 33.0 mm -98.98 117.59 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.69 -0.686 . . . . 0.84 110.745 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.595 ' HD3' ' OD1' ' B' ' 79' ' ' ASN . 1.6 mtt180 -142.03 -163.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.199 -0.455 . . . . 1.89 110.478 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.58 -117.87 5.85 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.755 -0.736 . . . . 1.24 112.21 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt 69.02 -99.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 122.996 0.519 . . . . 1.5 111.296 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 45.7 mt -121.08 -80.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.709 -0.223 . . . . 1.94 111.099 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.3 m -79.93 75.94 6.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.212 0.529 . . . . 2.24 111.061 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . 0.595 ' OD1' ' HD3' ' B' ' 74' ' ' ARG . 0.2 OUTLIER -178.5 -45.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.165 -0.925 . . . . 1.77 109.134 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.474 -0.774 . . . . 1.68 110.442 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.71 0.29 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -105.14 138.84 40.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.227 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -129.07 164.8 30.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.5 m-85 -120.84 118.05 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -97.96 121.8 48.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.142 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -98.61 122.86 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.385 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -89.02 169.08 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.67 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.005 0.431 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.988 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -0.49 71.47 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.9 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.601 0.239 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 129.22 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -133.55 139.25 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 111.679 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -91.29 115.84 28.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.29 162.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 59.5 mm-40 -117.78 156.48 49.73 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.09 -32.65 87.41 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.356 2.037 . . . . 0.0 112.597 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -91.05 19.97 5.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -91.83 128.41 37.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 152.74 40.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 50' ' ' LEU . 42.3 mm -58.8 -38.23 71.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 110.325 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -59.89 -32.08 70.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.553 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.12 -41.03 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.182 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.9 t -61.38 -45.42 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.272 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 23.1 mtmt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.93 83.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.216 0.532 . . . . 0.0 109.955 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -69.82 -35.3 74.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.824 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 61.3 mt -70.46 -37.7 71.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -63.51 -33.38 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.556 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.27 -29.44 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.65 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 111.838 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -80.98 -37.05 29.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.13 0.8 67.64 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.01 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -78.47 126.17 83.43 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 122.897 -0.178 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.1 Cg_exo -50.59 136.75 41.44 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.759 2.306 . . . . 0.0 112.07 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 28.1 Cg_exo -60.98 -19.03 61.07 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.788 2.325 . . . . 0.0 112.676 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.56 -36.32 76.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.801 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.15 9.69 34.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.37 107.85 20.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 111.307 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -107.6 110.85 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.774 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.53 124.64 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 111.388 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.15 132.6 71.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.205 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.23 105.28 7.81 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.803 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.52 38.82 22.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.41 -24.99 13.96 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.13 132.44 45.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -86.96 117.18 25.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.543 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 23' ' ' ILE . 11.1 mp -83.07 125.36 31.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.07 0.462 . . . . 0.0 111.157 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -103.91 147.06 27.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.99 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.74 -37.9 71.65 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 42.23 3.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.165 -0.54 . . . . 0.0 113.395 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -139.51 163.33 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 6.5 p -107.73 173.73 6.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.439 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.1 mt -71.23 -37.22 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.661 0.267 . . . . 0.0 111.478 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -17.49 63.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -62.01 -36.39 81.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.654 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 72.2 m-85 -103.71 6.54 36.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 67.27 37.43 3.62 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.826 0.704 . . . . 0.0 111.54 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.8 mt -77.47 120.22 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.926 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -108.58 -167.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.696 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -74.02 149.31 41.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.277 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 67.6 14.1 9.46 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.011 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -75.4 140.03 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -103.21 119.85 39.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.703 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.25 149.67 24.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.794 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.83 114.9 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.909 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 tp -100.94 104.48 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.83 146.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.35 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.467 HD22 HG11 ' B' ' 19' ' ' VAL . 49.8 tp . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 115.43 22.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.006 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.92 126.22 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.669 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -115.81 123.32 47.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 111.926 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.68 80.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.66 -2.37 35.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.495 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.86 -39.7 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.228 0.537 . . . . 0.0 110.157 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -111.08 -7.32 14.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.155 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.53 11.15 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.591 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.7 120.97 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -99.28 136.84 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.84 153.22 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.701 0.286 . . . . 0.0 110.806 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.6 138.6 48.3 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.424 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.4 135.01 67.88 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.201 2.601 . . . . 0.0 111.815 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.47 141.52 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -89.66 112.67 23.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.615 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.537 HG12 HD21 ' B' ' 28' ' ' LEU . 19.5 m -103.16 164.15 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -135.58 159.18 42.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.66 -20.95 60.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -91.06 -4.69 56.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.0 ttt -80.29 128.67 33.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.63 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 134.72 53.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -60.51 -30.08 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.48 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.954 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.83 -38.79 89.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.394 0.616 . . . . 0.0 109.547 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.537 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -63.03 -43.78 97.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.712 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' B' ' 33' ' ' GLN . 46.8 mm -64.04 -40.71 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.141 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.68 76.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.23 -42.23 99.12 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.5 -40.16 86.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 43.2 mt-30 -74.26 -35.21 63.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.846 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.54 -31.39 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.79 -59.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.628 ' SG ' HG13 ' B' ' 73' ' ' ILE . 45.6 t -76.92 -14.28 59.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.696 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.69 24.54 58.21 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.05 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 71.3 t80 -66.5 159.25 27.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.795 0.331 . . . . 0.0 110.415 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.02 145.74 25.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -104.04 30.79 4.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.4 -40.28 2.49 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.275 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -138.59 31.01 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 0.0 111.235 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' B' ' 74' ' ' ARG . 0.1 OUTLIER -136.18 147.56 47.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.159 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -112.66 127.56 56.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.486 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 30.6 tp -94.76 120.48 35.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.777 0.322 . . . . 0.0 110.589 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -105.91 112.55 25.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.206 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.67 123.79 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 62.14 -83.32 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 28.0 ttm -149.91 17.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.65 179.5 5.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.488 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -115.49 139.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.758 0.313 . . . . 0.0 110.335 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -73.46 95.18 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.118 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -85.47 159.7 19.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.437 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -61.14 -28.96 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -72.73 -17.67 61.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -81.89 71.55 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.1 t -92.83 14.81 16.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.306 0.574 . . . . 0.0 109.734 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' B' ' 58' ' ' GLN . 7.2 mt-30 -75.19 147.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.209 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.8 OUTLIER -81.44 175.58 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.952 0.406 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.48 -40.6 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.917 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -71.79 -9.7 58.68 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -104.42 -36.5 7.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.13 -26.62 64.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.559 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.96 17.17 35.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.577 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.26 114.8 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.491 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 0.0 OUTLIER -93.84 176.03 6.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.15 0.5 . . . . 0.0 110.958 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -20.15 65.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.722 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.82 19.12 20.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.7 179.38 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.563 0.22 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.84 176.57 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.468 . . . . 0.0 111.697 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.75 126.16 16.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.204 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.67 136.91 52.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.2 0.524 . . . . 0.0 111.985 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.628 HG13 ' SG ' ' B' ' 36' ' ' CYS . 44.6 mm -107.75 112.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.046 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' B' ' 43' ' ' HIS . 62.6 mtp85 -136.62 -172.55 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.566 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 109.4 -132.56 11.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.716 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.6 mmmt 73.43 -100.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.138 0.575 . . . . 0.0 112.229 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.05 -81.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.74 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -90.18 90.19 7.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -169.28 -66.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . 0.416 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.616 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.751 0.31 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -106.59 132.92 52.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -121.95 160.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.14 107.6 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.49 125.33 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 94.0 mttt -111.59 125.38 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 5.6 p -91.72 173.4 7.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.76 -28.15 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -7.92 54.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.11 29.02 32.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.735 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 47.4 mtpt . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -81.84 127.65 33.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.747 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.3 144.44 51.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.803 0.335 . . . . 0.0 111.218 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.75 108.01 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 0.0 109.752 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.34 171.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.451 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.9 mm-40 -127.95 156.64 75.76 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.88 -24.76 40.32 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.403 2.069 . . . . 0.0 112.572 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.51 4.03 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.996 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -88.41 140.29 29.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 155.55 20.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 51.6 mm -59.39 -41.57 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.396 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.93 -38.97 76.88 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.013 0.435 . . . . 0.0 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.51 -36.89 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.936 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.08 -39.46 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.2 mmmm -60.37 -39.65 88.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.926 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.78 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.532 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.39 -39.0 91.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.03 0.443 . . . . 0.0 110.342 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.34 -37.34 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 55.7 tt0 -63.37 -33.52 75.71 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.431 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.21 -46.12 82.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.352 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -84.82 -58.01 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -71.83 -35.44 69.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 83.09 43.97 7.3 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.224 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.0 mt -122.25 128.37 25.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.9 Cg_exo -55.72 138.84 82.49 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.634 2.222 . . . . 0.0 112.28 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -59.13 -24.62 74.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.924 2.416 . . . . 0.0 112.903 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -21.53 58.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.122 0.487 . . . . 0.0 111.294 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.47 10.6 40.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.022 0.439 . . . . 0.0 110.013 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -112.71 126.51 55.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.665 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -122.15 102.8 8.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.52 129.83 34.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.59 133.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -129.03 114.39 16.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.29 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.82 47.79 17.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.874 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.71 15.74 75.83 Favored Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.418 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -123.06 121.45 36.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.018 0.409 . . . . 0.0 110.731 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' HG13 ' B' ' 13' ' ' ILE . 29.4 tt0 -74.68 135.9 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -94.88 125.75 39.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 27.3 mt-10 -86.65 138.43 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.49 -40.76 62.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.2 36.54 3.18 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.823 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 23.7 mmt180 -130.09 167.33 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.043 0.422 . . . . 0.0 110.164 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.82 159.56 15.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.151 0.501 . . . . 0.0 110.495 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -20.46 62.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.082 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.92 -27.09 63.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 0.0 110.487 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.83 8.26 34.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 62.67 34.45 14.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.606 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -76.17 123.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.98 0.419 . . . . 0.0 110.311 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -111.87 -160.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.247 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -76.98 149.24 35.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.706 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 63.36 31.26 15.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.034 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 m -85.43 129.44 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.221 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.92 115.18 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.32 133.83 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -93.58 119.93 33.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 38.9 tp -108.05 111.99 24.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.447 . . . . 0.0 111.143 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.46 133.83 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.688 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.267 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 50.8 m -64.14 107.55 1.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.096 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.51 129.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.46 128.75 51.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.17 0.509 . . . . 0.0 111.652 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -95.56 107.26 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -84.06 3.84 32.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.3 -45.76 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.966 0.412 . . . . 0.0 110.338 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -3.53 18.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.471 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 53.07 27.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.843 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -116.43 137.91 51.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.455 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 49' ' ' GLN . 42.9 mm -112.29 120.98 63.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.45 159.26 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.096 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.3 173.14 16.01 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.53 -0.759 . . . . 0.0 114.094 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.33 86.99 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.319 2.68 . . . . 0.0 112.53 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.75 133.0 32.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.157 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -104.34 123.54 47.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -117.34 176.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.77 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.8 t -140.71 153.54 45.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.014 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.81 -18.56 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.046 0.45 . . . . 0.0 110.303 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.53 -0.87 57.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.43 128.61 37.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.736 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.24 136.83 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.275 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.509 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.4 pt? -62.05 -27.69 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.707 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.69 95.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.47 -36.84 83.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.056 0.455 . . . . 0.0 109.95 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -67.26 -41.35 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.589 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 25' ' ' LEU . 41.4 mm -61.62 -38.13 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.577 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -51.37 68.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.263 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.23 -38.1 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.272 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 -37.88 89.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.756 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.46 -36.81 68.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.2 -50.69 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.31 -65.25 1.03 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.4 t -64.19 -38.9 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.601 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.53 31.87 6.57 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.598 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 62.8 t80 -75.88 154.66 35.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.965 0.412 . . . . 0.0 110.429 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.599 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 14.0 t70 -139.92 137.37 34.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.66 1.4 53.83 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.84 8.99 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.45 34.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.147 0.499 . . . . 0.0 110.951 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 10.1 m80 -155.24 154.68 32.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.824 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -115.44 112.73 22.73 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.412 0.445 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 36.3 tp -84.53 115.66 22.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.843 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' B' ' 51' ' ' ILE . 43.3 m-85 -101.74 115.42 30.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.188 0.518 . . . . 0.0 111.078 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 120.74 42.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 64.43 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.5 mtm -144.39 2.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.257 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -124.51 170.43 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.0 110.819 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.403 HG12 ' CE2' ' B' ' 46' ' ' TYR . 8.0 mt -93.6 145.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.3 OUTLIER -77.72 90.39 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -80.7 160.1 25.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.003 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -25.79 64.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.368 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -71.75 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.483 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -91.08 67.73 5.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.766 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.3 t -87.73 -0.59 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.466 0.65 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' B' ' 62' ' ' GLU . 1.1 pt20 -64.66 138.8 58.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.371 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.487 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 72.8 m -78.29 -179.96 6.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.4 mt -48.81 -51.23 30.5 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.487 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -62.23 -21.17 64.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 58' ' ' GLN . 6.0 mt-10 -94.81 -36.95 11.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.216 -0.303 . . . . 0.0 111.099 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.56 -26.31 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.31 0.37 31.21 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.678 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.45 147.33 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.809 0.338 . . . . 0.0 110.168 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.526 ' HG2' ' H ' ' B' ' 67' ' ' THR . 0.1 OUTLIER -127.85 -76.14 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.712 -178.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 1.2 m -161.29 -24.15 0.05 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.703 0.287 . . . . 0.0 111.356 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.54 25.67 10.45 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.96 -174.59 4.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.15 168.37 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.833 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -144.37 137.3 27.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mp -117.57 134.2 55.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.398 . . . . 0.0 111.021 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.543 HG13 ' SG ' ' B' ' 36' ' ' CYS . 43.0 mm -105.91 114.68 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.539 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -134.04 -160.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' B' ' 79' ' ' ASN . . . 111.34 -141.96 16.75 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.082 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 29.3 mmmt 67.71 -163.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.909 0.385 . . . . 0.0 110.56 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.86 -57.9 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 84.52 7.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' B' ' 75' ' ' GLY . 6.5 t30 178.28 -70.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.106 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.265 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.8 ptt? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -98.29 134.47 41.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -131.96 164.65 34.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.9 m-85 -125.14 134.84 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.4 t -119.57 112.11 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 4.0 mmtp -90.39 118.61 30.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.741 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -83.12 172.19 12.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.132 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.94 -11.54 60.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.95 -10.33 36.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.305 0.574 . . . . 0.0 110.539 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA3' ' ND2' ' B' ' 48' ' ' ASN . . . 100.74 4.93 54.34 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.803 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.41 120.46 35.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.952 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.53 142.94 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.826 0.346 . . . . 0.0 111.517 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -112.43 92.79 4.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 1' ' ' MET . 10.5 m -130.57 163.92 34.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.124 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.0 mm-40 -107.36 158.77 32.32 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.67 -17.55 36.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 0.0 112.715 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.01 1.43 47.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.825 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.93 148.71 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -88.08 151.71 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.175 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -59.06 -44.68 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.52 -37.43 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.51 -41.94 92.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' THR . 61.3 t -63.03 -41.65 93.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.006 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.33 -35.35 78.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.7 84.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 0.0 109.935 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.75 -31.72 66.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.76 -38.19 78.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -63.12 -30.03 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.319 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -74.53 -27.35 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.178 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -97.04 -46.86 6.02 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.85 -22.0 19.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.62 26.6 64.91 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.637 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -104.3 123.28 41.11 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 77.4 Cg_exo -50.38 136.33 39.71 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.773 2.316 . . . . 0.0 112.696 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 11.6 Cg_exo -67.8 -5.92 15.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.72 2.28 . . . . 0.0 112.456 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.88 -13.02 46.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -118.62 16.27 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 109.774 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -100.72 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.066 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -109.64 104.75 13.82 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.04 119.46 32.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.16 0.505 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.95 127.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.715 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -115.84 99.14 7.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 49.05 9.08 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.385 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.6 -19.24 25.41 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.561 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -94.12 119.7 33.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.017 0.409 . . . . 0.0 111.215 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -80.38 133.84 35.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.86 149.77 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.544 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -102.32 151.91 21.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.773 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.31 -49.03 78.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.683 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.86 50.52 4.42 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.037 -0.602 . . . . 0.0 113.99 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -138.89 164.66 29.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.05 158.63 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.186 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.1 mt -59.26 -33.65 71.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.465 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -66.7 -24.58 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.598 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -93.2 14.45 18.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.415 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 60.05 33.68 21.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.823 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -75.56 118.54 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -110.35 -163.13 0.84 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -75.82 151.74 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.32 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 66.74 19.4 10.74 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.817 0.698 . . . . 0.0 111.963 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -80.15 129.08 34.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.779 0.323 . . . . 0.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 14.4 m -104.17 117.27 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.48 160.05 15.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.996 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 122.46 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.757 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -104.69 110.93 23.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.13 153.16 9.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.246 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.134 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' B' ' 16' ' ' PRO . 18.2 tp . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.766 0.317 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -109.72 115.22 29.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.364 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -108.61 130.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -136.09 143.23 44.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -134.71 91.71 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -80.42 12.05 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.05 -31.6 61.33 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.22 3.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.434 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.5 54.23 6.9 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.374 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -108.87 102.05 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.097 0.475 . . . . 0.0 110.831 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mm -90.82 113.03 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.103 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' B' ' 36' ' ' CYS . 28.5 m-85 -91.31 140.58 29.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.28 148.07 51.14 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.939 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' B' ' 3' ' ' LEU . 12.3 Cg_endo -57.11 130.42 39.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.417 2.745 . . . . 0.0 112.4 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.42 146.97 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -101.72 110.88 22.96 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.715 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 m -92.71 179.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.882 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.4 t -146.63 155.68 42.64 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.075 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.52 -12.56 60.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -99.3 4.09 46.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.244 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.0 ttt -89.35 135.66 33.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.03 135.23 44.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' B' ' 26' ' ' THR . 0.6 OUTLIER -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.499 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.418 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -65.64 -34.43 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 8.0 t70 -68.58 -38.84 81.02 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.33 -43.74 93.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.808 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.95 -39.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.797 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.43 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 84.7 mt -60.69 -40.02 90.61 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.376 0.608 . . . . 0.0 109.896 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 4.7 mp -65.82 -41.77 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.25 -19.98 60.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.49 -63.02 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.94 -55.18 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.542 ' SG ' HG13 ' B' ' 73' ' ' ILE . 3.6 t -66.44 -28.41 68.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.493 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.29 21.1 55.7 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.396 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 45.0 t80 -65.74 157.22 30.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.117 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 6.2 t70 -148.67 132.15 16.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.087 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -84.8 21.69 1.51 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.007 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -117.31 -57.55 2.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -116.58 12.52 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.2 m80 -121.86 147.45 45.97 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.953 -0.467 . . . . 0.0 109.982 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -109.06 136.47 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 44.3 tp -105.91 128.8 54.02 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' B' ' 74' ' ' ARG . 12.1 m-85 -118.66 128.19 54.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.893 0.378 . . . . 0.0 111.595 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.44 109.51 19.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.427 ' ND2' ' HA3' ' A' ' 10' ' ' GLY . 27.3 t-20 65.16 -78.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.747 0.654 . . . . 0.0 111.091 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 8.1 mtm -148.97 21.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -132.68 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.675 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.3 mt -87.45 135.59 25.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.38 94.61 3.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.275 0.56 . . . . 0.0 110.39 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.74 165.76 13.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.203 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.0 -26.08 67.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.675 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.21 -15.24 62.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -96.73 46.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.535 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -79.97 40.13 0.46 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.84 0.829 . . . . 0.0 110.297 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.14 146.51 24.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.17 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -73.76 169.72 16.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.207 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.25 -29.75 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.374 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -78.65 -5.2 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.343 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.02 -37.96 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.15 -36.62 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.506 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.26 29.61 2.94 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.089 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.36 146.77 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -157.79 -67.7 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 111.227 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -158.48 -45.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.216 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 12.3 p-10 -89.59 34.18 0.83 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.669 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.427 ' C ' HD13 ' B' ' 70' ' ' LEU . 0.6 OUTLIER -100.54 167.74 10.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.427 HD13 ' C ' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -156.33 152.63 27.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -129.82 131.94 46.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.83 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -116.32 135.68 53.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.508 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.542 HG13 ' SG ' ' B' ' 36' ' ' CYS . 11.2 mm -102.49 124.01 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.351 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.472 ' HB2' ' CE1' ' B' ' 46' ' ' TYR . 44.1 mtp85 -139.35 -159.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 104.83 -133.81 11.73 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.519 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.1 mmmt 71.47 -102.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.056 0.542 . . . . 0.0 111.456 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.2 mt -129.86 -58.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 111.405 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.47 60.06 5.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.721 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -165.68 -58.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.721 -0.657 . . . . 0.0 110.971 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptt? . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -109.6 141.73 41.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -130.75 162.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.397 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.0 m-85 -117.42 134.18 55.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.222 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.83 121.22 67.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.723 0.297 . . . . 0.0 110.579 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -97.04 123.59 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.195 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -92.33 175.76 6.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.94 -8.45 56.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.065 0.46 . . . . 0.0 110.86 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -99.66 -5.32 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.01 45.95 6.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.601 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 110.802 179.584 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.883 0.373 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -98.1 127.53 44.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.984 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -128.11 140.47 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -88.41 113.91 24.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.7 m -138.05 164.37 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.502 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.4 mm-40 -120.73 161.91 37.46 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -36.09 79.7 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.317 2.011 . . . . 0.0 113.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 9.92 20.47 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.5 t0 -75.7 133.9 40.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.794 0.331 . . . . 0.0 110.13 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.46 148.32 31.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 41.9 mm -59.13 -40.93 82.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.461 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.4 -36.59 76.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.625 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 58.1 t30 -66.93 -35.78 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.245 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 37.1 t -66.38 -38.44 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 3.3 mmmm -61.32 -37.06 81.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.697 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.39 78.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 49.7 mttt -68.84 -37.69 79.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.087 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.9 mt -68.21 -33.78 62.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 121.354 0.597 . . . . 0.0 109.614 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.5 tt0 -64.46 -31.94 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.302 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -74.22 -35.71 63.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 63.5 mmtt -81.65 -63.31 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.163 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.68 -32.61 31.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 89.88 9.88 65.46 Favored Glycine 0 N--CA 1.458 0.124 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.4 mt -87.14 130.41 48.14 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.5 Cg_exo -56.12 131.49 46.22 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.595 2.196 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 67.8 Cg_exo -55.05 -26.71 51.36 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 123.271 2.647 . . . . 0.0 113.1 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.1 65.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.338 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -99.98 -1.32 37.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 80.1 mt-30 -92.2 124.4 36.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.807 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -91.07 126.27 36.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 127.73 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.494 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -131.01 124.06 30.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.505 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.54 39.4 11.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.486 0.491 . . . . 0.0 111.31 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 17.43 72.26 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.315 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -131.08 138.03 49.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.81 0.305 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.46 139.92 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -93.69 143.5 26.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.08 -20.69 65.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.571 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.01 26.61 14.0 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -133.49 171.57 13.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.13 170.02 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.358 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 18' ' ' GLU . 85.4 mt -63.55 -35.46 80.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -71.82 -12.58 61.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -77.28 -11.44 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.542 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.38 10.34 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.716 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 63.88 32.28 13.39 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.854 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -75.66 128.0 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.48 -165.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.671 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -75.74 148.82 38.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.721 0.296 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 64.81 17.38 10.96 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.432 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -75.69 145.25 41.09 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' B' ' 68' ' ' ASP . 3.4 m -109.99 127.58 54.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.251 0.548 . . . . 0.0 111.433 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.42 160.28 15.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -114.45 120.73 41.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -102.67 115.15 30.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 111.661 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.08 133.93 53.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.554 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.323 -0.561 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 tp . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 114.9 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.85 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -103.11 128.17 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -124.38 119.98 30.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.063 0.458 . . . . 0.0 111.687 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . 0.469 ' HA ' ' HB ' ' B' ' 73' ' ' ILE . 47.2 t30 -90.46 100.61 13.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.34 -7.02 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.526 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.67 -42.34 70.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.381 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -5.75 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.26 59.11 2.46 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.859 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -118.11 123.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.458 0.17 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -105.04 123.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -95.67 170.93 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.831 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.91 -169.0 30.19 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.988 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -88.67 102.55 0.41 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.479 2.786 . . . . 0.0 113.506 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 23.4 mt -83.07 118.6 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -81.98 101.04 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -82.59 176.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.465 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t -145.98 148.07 32.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.144 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.2 -7.7 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.499 . . . . 0.0 110.786 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.28 3.96 36.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.03 128.68 37.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.747 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.81 53.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 29' ' ' ILE . 2.6 pt? -60.77 -27.74 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.532 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -33.63 76.18 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.087 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 23.2 t70 -71.79 -37.19 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.0 -41.89 94.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.36 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.0 mm -66.77 -33.98 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.905 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.82 96.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.935 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 32.0 mt -68.19 -39.83 82.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.77 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 12.5 tp -62.97 -40.09 96.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -75.14 -28.22 60.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.91 -55.35 4.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.28 -56.49 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 73' ' ' ILE . 50.7 t -66.32 -23.88 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.5 28.25 33.41 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.752 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 49.1 t80 -73.4 168.22 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -158.74 146.54 17.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -93.82 10.1 34.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -66.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.867 0.365 . . . . 0.0 111.457 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.66 51.52 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.0 110.874 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.36 151.55 26.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -128.21 138.07 52.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 48.8 tp -112.08 132.94 54.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.861 0.363 . . . . 0.0 110.812 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.76 130.85 53.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.139 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -107.32 109.26 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 65.13 -77.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.609 0.568 . . . . 0.0 110.79 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -145.74 8.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -112.91 165.66 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.441 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.89 140.64 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.193 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 52' ' ' LEU . 1.1 mm? -82.26 87.37 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ARG . 19.6 t70 -73.84 163.03 28.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 47.8 m -62.77 -28.84 70.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.707 0.289 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.13 -6.62 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.062 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' B' ' 53' ' ' ASP . 16.2 mmt180 -79.11 62.39 3.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -84.53 31.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.907 0.86 . . . . 0.0 110.316 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -98.76 125.0 43.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.959 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.496 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 1.1 m -73.41 178.36 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.541 0.21 . . . . 0.0 111.066 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -46.8 -52.87 13.17 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.496 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -65.31 -24.06 67.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.26 -34.02 22.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.658 0.266 . . . . 0.0 110.541 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.88 -32.17 63.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.485 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.01 12.65 25.31 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.373 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.409 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 0.7 OUTLIER -60.09 123.71 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.261 -0.47 . . . . 0.0 110.642 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' OD2' ' B' ' 68' ' ' ASP . 0.5 OUTLIER -116.19 -171.59 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.653 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -79.03 10.67 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 3.2 p30 -132.45 16.02 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.984 0.356 . . . . 0.0 111.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.409 ' OD2' ' HA ' ' B' ' 65' ' ' LEU . 11.5 m-20 -85.08 -171.99 3.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.021 0.439 . . . . 0.0 111.794 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.94 157.51 29.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.081 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -120.77 132.21 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.93 122.43 45.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.272 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.476 HG13 ' SG ' ' B' ' 36' ' ' CYS . 12.0 mm -101.47 112.19 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.934 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -138.75 -158.44 0.86 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -135.48 12.28 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.27 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 71.06 -101.39 0.04 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.336 0.654 . . . . 0.0 111.875 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -73.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.584 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 67.62 2.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.425 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -168.41 -66.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.937 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.124 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.699 0.285 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.36 133.88 50.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -127.75 160.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.65 143.08 46.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.563 0.221 . . . . 0.0 110.739 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.13 123.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 110.241 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -96.12 123.48 39.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -88.14 178.07 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.386 0.429 . . . . 0.0 110.526 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.61 8.55 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.304 0.573 . . . . 0.0 110.381 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.1 8.36 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.754 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.3 12.76 83.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.787 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -95.54 127.2 41.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD11 HG12 ' A' ' 30' ' ' ILE . 82.1 mt -118.92 132.05 56.07 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.987 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -88.66 112.13 22.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.01 -177.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.298 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -142.16 161.26 51.62 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.82 -39.1 68.47 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 113.212 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.74 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -81.82 134.68 35.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.121 0.486 . . . . 0.0 110.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.91 144.18 43.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.818 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.81 -33.91 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.12 -38.6 79.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.226 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.03 -38.59 88.81 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.782 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.7 t -61.77 -43.51 97.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.494 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 4.3 mmmm -61.82 -40.8 96.51 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.01 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.17 85.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.607 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -37.54 87.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.152 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG12 HD11 ' A' ' 15' ' ' LEU . 60.8 mt -71.93 -34.02 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -67.12 -34.67 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.939 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.5 -32.48 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -92.35 -54.04 3.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.31 -33.22 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.08 10.72 58.3 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.763 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 42.7 mt -88.38 125.57 63.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 31.6 Cg_exo -61.51 134.28 50.42 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.559 2.173 . . . . 0.0 112.238 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.14 -29.56 46.4 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.344 2.696 . . . . 0.0 113.401 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.83 -18.95 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.066 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -110.57 20.96 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 110.746 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-30 -119.34 128.61 54.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.035 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -119.76 118.43 30.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.24 116.3 32.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.263 0.554 . . . . 0.0 111.569 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 13.2 mt -109.27 126.16 66.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.143 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -127.94 108.42 10.67 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.03 29.39 16.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.252 0.549 . . . . 0.0 110.5 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' HG3' ' B' ' 16' ' ' PRO . . . 89.67 -6.42 83.06 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.908 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -96.96 132.1 43.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.749 0.309 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.46 125.61 34.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.68 137.18 32.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.594 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 46.2 mt-10 -94.65 142.88 26.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.95 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.06 -37.16 71.42 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.81 21.42 5.56 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.899 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 31.1 mmt180 -121.1 168.69 11.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.299 0.549 . . . . 0.0 109.614 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.45 162.61 14.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.032 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 70.3 mt -62.59 -31.97 72.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.149 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -67.99 -23.49 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.581 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.78 -36.22 83.16 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 111.267 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -101.22 11.6 39.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 59.65 35.61 22.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.291 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.83 110.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.097 0.475 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -97.25 -169.92 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.583 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -71.51 158.86 35.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.407 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 61.17 30.08 19.14 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.121 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -96.56 137.65 35.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.049 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -105.12 120.78 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.587 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.19 154.95 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.393 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 5.7 m80 -102.26 112.39 25.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.512 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -93.35 116.65 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.104 0.478 . . . . 0.0 111.145 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.2 139.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 111.277 -179.487 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' B' ' 17' ' ' ILE . 25.3 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.85 126.29 32.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 mt -116.74 130.33 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -116.68 129.82 56.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.199 0.523 . . . . 0.0 111.859 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -99.85 91.34 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 11.47 1.54 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.014 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.65 -66.28 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -21.8 35.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.778 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.12 34.56 8.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -99.76 129.92 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.35 . . . . 0.0 110.67 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.62 120.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.798 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.35 148.93 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -147.69 6.71 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.846 -0.693 . . . . 0.0 114.232 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . 0.401 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 95.4 Cg_endo -80.1 85.75 1.78 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.172 2.581 . . . . 0.0 114.102 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 70.5 mt -78.28 94.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 3.4 tp10 -66.09 133.12 50.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.215 0.531 . . . . 0.0 111.92 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.21 142.03 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.8 t -98.22 152.66 19.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -70.73 -15.47 62.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.898 0.38 . . . . 0.0 110.291 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.04 0.77 52.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.403 0.621 . . . . 0.0 110.305 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ttt -82.46 133.84 35.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.474 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.02 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.586 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -65.48 -32.45 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.181 0.515 . . . . 0.0 109.666 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -62.46 -37.03 84.35 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.37 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.66 -46.81 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.636 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.98 -43.93 94.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.586 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.5 mm -61.65 -39.85 84.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.25 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.941 0.401 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.34 -37.31 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.68 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.91 -35.57 81.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 44.7 mt-30 -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.59 -51.91 3.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.924 0.393 . . . . 0.0 111.103 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.617 ' SG ' HG13 ' B' ' 73' ' ' ILE . 39.8 t -66.59 -37.25 84.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.578 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.47 29.33 7.1 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -73.4 164.75 26.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 17.6 t70 -156.18 132.88 10.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -76.37 -4.09 40.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -27.56 10.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -140.24 45.02 1.87 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.5 m80 -156.56 148.26 22.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.32 123.71 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.429 HD11 ' HG ' ' B' ' 71' ' ' LEU . 33.1 tp -96.3 123.13 39.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -105.5 121.84 44.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.311 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.67 94.25 5.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 63.62 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.16 8.63 4.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.279 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.76 146.81 48.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.588 0.232 . . . . 0.0 111.176 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -90.36 132.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.4 101.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -91.9 163.79 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -64.08 -24.34 67.66 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.642 0.377 . . . . 0.0 111.97 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -77.77 -18.27 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.457 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -80.24 78.13 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -95.22 18.04 13.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 110.629 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -74.49 137.9 42.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.408 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -76.62 179.28 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.288 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.39 -45.78 69.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -67.44 -29.05 68.42 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.49 -36.03 19.26 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.889 0.376 . . . . 0.0 110.487 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.47 47.62 1.51 Allowed Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.911 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.86 138.94 41.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -55.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.03 4.41 34.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.317 0.579 . . . . 0.0 111.145 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.83 178.84 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.15 172.11 19.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 111.033 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' B' ' 45' ' ' LEU . 1.8 tp -130.29 136.24 48.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.597 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.31 134.93 53.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.878 0.371 . . . . 0.0 111.759 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.617 HG13 ' SG ' ' B' ' 36' ' ' CYS . 27.1 mm -104.18 112.08 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.704 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -132.34 -164.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 110.108 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.46 -123.71 7.78 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.61 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' B' ' 76' ' ' LYS . 27.9 mmmt 66.29 -99.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.075 0.55 . . . . 0.0 110.796 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.1 -52.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.872 0.368 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 61.83 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -171.03 -67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.627 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.8 0.334 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -112.31 134.81 53.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 pt -122.66 155.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.36 137.68 48.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.92 123.12 70.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -99.68 116.82 32.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -87.63 173.87 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 0.0 110.691 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD11 ' H ' ' A' ' 71' ' ' LEU . 11.9 mt -74.32 -1.18 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.289 0.566 . . . . 0.0 110.872 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 7.34 28.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.831 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' B' ' 49' ' ' MET . . . 73.92 16.15 79.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.233 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.2 pt . . . . . 0 C--O 1.234 0.278 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -115.24 137.48 51.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.599 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -131.76 138.43 48.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -90.76 122.07 33.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.134 0.493 . . . . 0.0 109.91 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.08 167.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.4 mm-40 -118.99 157.69 49.87 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.43 -22.85 44.16 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.302 2.002 . . . . 0.0 113.075 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.5 -2.81 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.731 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -74.83 134.97 41.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.76 159.36 23.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.426 179.157 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.61 -37.99 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.86 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.5 -38.5 91.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.073 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 56' ' ' LEU . 48.7 t -67.53 -38.79 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.004 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.66 -37.06 80.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.47 80.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.94 -38.56 72.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.846 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.69 -40.23 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.1 tt0 -67.39 -28.24 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.517 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.54 -42.25 74.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -87.22 -55.3 3.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.034 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -74.62 -40.56 61.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.687 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.65 7.85 62.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.785 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.47 129.0 54.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.132 0.173 . . . . 0.0 110.712 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.6 Cg_exo -57.42 137.57 82.15 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 122.896 2.397 . . . . 0.0 112.425 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.9 Cg_exo -57.74 -24.58 64.12 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.14 2.56 . . . . 0.0 112.514 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -26.28 65.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.17 9.01 40.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.843 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -100.87 128.46 46.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.563 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.95 105.17 8.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -95.79 122.38 38.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.226 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.497 HG12 HG21 ' B' ' 13' ' ' ILE . 3.3 mp -127.91 125.06 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -114.86 112.52 22.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.42 54.42 10.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.63 0.581 . . . . 0.0 111.859 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.47 -8.65 9.31 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.941 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -94.77 120.37 34.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.296 0.548 . . . . 0.0 110.805 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -80.9 122.87 27.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.06 131.43 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.363 . . . . 0.0 111.519 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -89.48 153.54 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.36 -42.92 92.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.464 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 45.16 3.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.646 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -142.1 161.8 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 48.3 p -105.91 162.28 13.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.718 0.294 . . . . 0.0 110.495 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD21 HG21 ' A' ' 26' ' ' VAL . 25.6 mt -62.25 -32.49 73.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.535 . . . . 0.0 111.19 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -21.97 61.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -67.52 -28.61 67.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -103.14 16.0 27.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.313 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 60.8 29.68 19.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.706 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -76.2 125.13 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -113.1 -161.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.683 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -82.21 156.59 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.19 24.56 14.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -84.0 145.69 28.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.7 m -107.45 107.78 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 0.0 111.429 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.43 148.55 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.852 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -104.85 125.97 51.43 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.67 114.0 27.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.512 . . . . 0.0 111.668 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -108.04 145.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.003 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' H ' HD11 ' A' ' 8' ' ' LEU . 60.8 mt . . . . . 0 C--N 1.323 -0.582 0 CA-C-O 121.009 0.433 . . . . 0.0 111.129 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.41 HD21 HD22 ' B' ' 71' ' ' LEU . 17.2 tp . . . . . 0 N--CA 1.445 -0.712 0 CA-C-O 120.744 0.307 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 40.4 m -71.73 98.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.47 139.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.808 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -140.35 146.53 38.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -120.16 131.05 54.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.358 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.95 -4.99 38.95 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.93 -45.59 88.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.03 10.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.47 41.1 4.89 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.661 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.63 131.16 52.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.468 . . . . 0.0 111.061 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 44' ' ' ILE . 39.8 mm -106.54 120.67 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.304 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -84.4 161.71 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.768 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.47 -176.4 50.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.623 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.19 116.2 3.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.196 2.597 . . . . 0.0 112.943 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.5 104.94 17.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.459 0.647 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -80.62 118.66 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.75 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.23 174.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.902 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -129.83 151.41 50.43 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.01 -15.17 61.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.046 0.451 . . . . 0.0 109.871 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.37 7.33 45.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.919 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.65 130.77 38.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 139.18 58.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.18 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.497 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -66.29 -28.51 68.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -32.95 73.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.39 -38.22 89.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.3 OUTLIER -64.74 -44.58 89.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.141 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 ' O ' ' B' ' 25' ' ' LEU . 49.7 mm -60.4 -38.26 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.875 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.67 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.87 -36.3 83.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.193 0.52 . . . . 0.0 110.218 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.85 -38.95 90.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 45.8 mt-30 -72.68 -22.27 60.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.38 -59.31 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.342 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.46 -61.88 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' B' ' 73' ' ' ILE . 48.1 t -71.03 -36.8 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.483 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.91 32.38 6.85 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.346 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 61.0 t80 -71.6 165.66 23.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.566 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -164.94 149.94 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.98 -1.38 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -83.05 -40.89 19.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.98 30.2 2.25 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.746 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 77.5 m80 -134.95 163.44 29.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -125.35 132.73 52.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.442 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 19.1 tp -101.46 110.32 22.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.484 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -96.76 133.22 41.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -127.27 110.88 13.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.126 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 64.3 -78.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.166 0.587 . . . . 0.0 110.824 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.489 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 23.4 ptm -149.4 13.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.463 . . . . 0.0 110.076 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -125.58 -175.76 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.837 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.32 143.62 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.52 79.3 7.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.278 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.15 158.51 35.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.939 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.6 -25.47 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.347 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -67.29 -21.7 65.68 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.022 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -86.29 88.32 7.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -96.8 24.99 5.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.258 0.551 . . . . 0.0 110.521 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -82.42 149.15 27.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.419 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.535 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.7 OUTLIER -80.91 174.04 12.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -52.97 -47.8 67.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -69.98 -15.26 63.01 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.92 -10.33 34.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -91.99 -4.46 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.642 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 29.79 42.33 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.956 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.14 157.71 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -161.03 -93.72 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.54 7.28 2.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.84 9.18 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.06 26.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.921 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.47 148.93 26.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.584 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.41 HD22 HD21 ' B' ' 3' ' ' LEU . 4.7 tp -128.39 130.74 48.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.67 130.19 56.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 0.0 111.336 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.609 HG13 ' SG ' ' B' ' 36' ' ' CYS . 41.1 mm -95.98 111.66 26.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.345 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -129.57 -165.24 1.5 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.992 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.41 -136.02 13.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.704 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 67.68 -117.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.125 0.57 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.55 -58.35 2.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 111.283 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.85 78.05 9.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.432 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -175.42 -68.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.147 0.498 . . . . 0.0 111.23 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.71 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -116.1 137.01 52.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.624 0.25 . . . . 0.0 110.663 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -123.77 159.19 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -117.68 114.53 23.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.119 0.485 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -104.39 119.42 53.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.877 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 68' ' ' ASP . 76.2 tttt -102.58 124.15 47.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.489 HG22 HD23 ' A' ' 69' ' ' LEU . 34.7 p -86.4 172.43 10.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.44 -15.96 63.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.57 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.68 0.16 48.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.17 8.95 84.73 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.59 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 122.755 -0.262 . . . . 0.0 110.385 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -97.76 134.97 40.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 HG12 ' A' ' 30' ' ' ILE . 43.5 mt -131.33 134.16 46.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.912 0.387 . . . . 0.0 111.744 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -87.18 108.09 18.76 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -133.5 175.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.3 mm-40 -137.4 160.23 66.28 Favored Pre-proline 0 C--N 1.316 -0.871 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.23 -33.7 56.0 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.676 2.25 . . . . 0.0 113.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.88 -10.06 59.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -65.39 126.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.238 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -78.92 152.47 31.1 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.53 -39.0 51.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 0.0 110.719 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -64.22 -37.95 89.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.152 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -65.42 -37.9 88.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 t -64.09 -42.17 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 44.5 mtmt -63.34 -34.09 76.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.452 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -30.5 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.125 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -75.41 -39.32 59.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.816 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 15' ' ' LEU . 55.6 mt -68.18 -39.0 80.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.33 0.586 . . . . 0.0 109.816 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.6 -25.21 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.057 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.3 -46.56 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.957 0.408 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -76.53 -49.13 17.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -85.55 -36.18 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.89 13.31 59.39 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.287 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -89.36 127.47 54.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.59 133.45 56.88 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.422 2.081 . . . . 0.0 112.305 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -58.8 -25.66 77.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.944 2.43 . . . . 0.0 113.135 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -4.72 52.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.679 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -114.84 10.17 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.052 0.453 . . . . 0.0 109.882 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 79.6 mt-30 -102.09 117.76 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.621 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -111.41 95.75 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.81 128.68 34.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.766 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 mt -123.15 129.93 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.953 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' A' ' 50' ' ' LEU . 41.8 t80 -124.19 113.47 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 42.7 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.335 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.501 ' CA ' ' HG3' ' B' ' 16' ' ' PRO . . . 76.82 6.07 84.86 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 114.082 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 139.28 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.387 0.593 . . . . 0.0 110.76 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.09 141.09 32.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.116 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.7 mt -100.15 133.81 44.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.458 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 31.7 mt-10 -80.85 151.28 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.831 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -44.01 94.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.36 45.4 2.6 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.968 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -130.02 161.73 30.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.029 0.414 . . . . 0.0 110.08 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -105.16 164.88 11.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.614 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 18' ' ' GLU . 71.4 mt -65.65 -31.51 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.483 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -67.88 -27.32 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' THR . 10.8 m-20 -59.95 -46.06 90.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -91.47 8.71 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.977 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.7 36.4 19.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.186 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.57 116.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.287 0.565 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -101.63 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -75.92 150.74 37.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 63.85 22.83 13.18 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.868 0.73 . . . . 0.0 111.977 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -76.13 139.83 41.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -97.46 117.11 30.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.597 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.53 148.0 30.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -103.76 118.68 37.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.236 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 7' ' ' THR . 58.3 tp -103.77 109.1 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.103 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.05 147.99 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.05 179.729 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.78 127.72 45.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.06 0.457 . . . . 0.0 111.62 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.58 130.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -118.52 126.08 51.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.121 0.486 . . . . 0.0 111.761 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.12 76.71 1.48 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.72 -6.08 7.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.676 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' B' ' 74' ' ' ARG . 61.0 mt -81.22 -24.77 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.61 -14.64 5.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.734 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.92 17.03 57.15 Favored Glycine 0 CA--C 1.508 -0.378 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.06 103.93 13.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 111.292 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.3 113.43 30.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.407 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -87.55 176.92 7.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.08 -168.67 39.23 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HG3' ' CA ' ' A' ' 47' ' ' GLY . 91.8 Cg_endo -88.15 121.01 1.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.929 2.419 . . . . 0.0 113.059 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.93 139.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -99.87 87.37 3.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.126 0.489 . . . . 0.0 109.82 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.45 -172.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t -151.16 157.97 43.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.4 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 61' ' ' LYS . 16.6 pt-20 -71.36 -18.19 62.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 109.954 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.34 -9.6 49.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.293 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 22.3 ttt -81.1 132.25 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.822 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.31 140.36 55.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -65.7 -35.03 79.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.693 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -64.16 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.27 -41.31 81.26 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.976 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 25' ' ' LEU . 50.0 mm -62.43 -38.7 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.922 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.32 86.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.1 mt -62.91 -38.62 91.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.015 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 1.1 tp -66.96 -37.33 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 42.9 mt-30 -71.76 -27.82 63.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.817 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.98 -55.97 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.46 -63.17 1.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.67 ' SG ' HG13 ' B' ' 73' ' ' ILE . 47.6 t -63.31 -32.08 73.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.91 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.25 29.44 11.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.158 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.85 160.79 30.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.983 0.42 . . . . 0.0 110.548 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 21.4 t70 -157.21 146.36 20.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -90.37 -3.96 57.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -17.02 13.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -136.92 21.32 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 3.4 m80 -150.54 141.48 22.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.99 0.424 . . . . 0.0 110.29 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.62 136.76 45.85 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.858 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.62 120.32 41.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.016 0.436 . . . . 0.0 110.162 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 12.1 m-85 -105.51 124.05 48.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -107.75 108.75 20.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.375 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 64.69 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.757 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 60.3 mtm -131.59 -1.9 3.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.903 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.73 -174.24 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.44 153.01 16.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -84.13 88.0 7.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.118 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -76.86 160.79 28.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -24.1 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -76.9 -10.22 59.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 0.0 110.552 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -89.3 68.01 7.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.941 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -86.77 9.31 19.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.471 0.653 . . . . 0.0 109.772 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.466 ' HB3' ' HB2' ' B' ' 62' ' ' GLU . 8.5 mt-30 -69.41 137.75 53.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.89 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.437 ' HA ' HD22 ' B' ' 25' ' ' LEU . 0.7 OUTLIER -76.43 177.43 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.44 -38.67 69.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 22.4 pttm -72.44 -23.59 61.09 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.697 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' B' ' 58' ' ' GLN . 0.5 OUTLIER -88.7 -39.89 13.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.293 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.54 -41.0 96.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.96 32.61 2.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.054 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.11 114.88 22.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -78.43 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.812 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 95.5 m -150.11 -39.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 7.3 p-10 -80.44 3.65 20.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.136 0.493 . . . . 0.0 111.282 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -78.71 160.82 27.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.897 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.19 159.08 44.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.734 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.61 128.12 42.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 4.9 mp -108.55 139.19 43.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.67 HG13 ' SG ' ' B' ' 36' ' ' CYS . 19.5 mm -106.87 117.77 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.404 ' HA ' HD11 ' B' ' 9' ' ' LEU . 42.0 mtp85 -135.46 -161.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.478 ' HA2' ' OG ' ' B' ' 80' ' ' SER . . . 99.21 -137.44 13.26 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.043 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 17.3 mmmt 72.13 -103.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.513 0.725 . . . . 0.0 111.117 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt -127.66 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.151 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.62 69.24 8.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.85 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -170.07 -71.8 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.238 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . 0.478 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.815 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.02 -0.363 . . . . 2.93 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -109.78 142.45 41.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.818 -0.174 . . . . 2.98 110.811 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.72 161.46 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.747 -0.464 . . . . 2.13 109.747 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -116.92 120.64 39.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 3.08 111.098 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.84 120.35 62.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.053 -0.521 . . . . 1.55 109.964 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.9 mtpp -106.11 122.01 45.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.063 -0.517 . . . . 2.32 110.308 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -88.4 165.28 15.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.118 -0.492 . . . . 2.04 111.405 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -64.29 -19.04 65.15 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.075 -0.511 . . . . 2.45 111.323 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -6.96 59.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 3.37 111.236 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 46.32 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.873 -0.68 . . . . 2.64 112.412 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 51.9 mtpt -120.95 130.7 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.273 -0.269 . . . . 3.12 110.273 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.677 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.21 132.67 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.871 0.367 . . . . 2.75 110.662 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -100.78 127.92 47.03 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.624 -0.509 . . . . 3.08 109.624 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.3 mt -120.94 141.14 50.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.601 -0.272 . . . . 2.1 110.652 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -91.26 114.24 26.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.175 -0.676 . . . . 3.44 109.175 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -134.6 171.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.633 -0.712 . . . . 2.48 110.84 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.9 mm-40 -122.72 156.58 61.55 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 109.313 -0.625 . . . . 3.35 109.313 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -56.51 -25.23 57.4 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.137 1.891 . . . . 3.49 112.58 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.0 3.97 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.874 0.324 . . . . 3.7 111.874 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.48 146.37 48.63 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.607 0.241 . . . . 3.13 110.486 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -92.49 150.45 20.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.18 -0.464 . . . . 3.69 110.723 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.95 -43.86 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.09 110.55 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.591 . . . . 4.46 110.625 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 43.8 t30 -67.16 -38.16 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.497 . . . . 3.31 109.659 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 48.5 t -63.77 -41.02 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 2.47 109.672 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -61.88 -34.59 76.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.66 -0.7 . . . . 3.49 110.315 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.16 92.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 3.19 110.116 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 35.8 mttt -66.51 -37.79 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.811 -0.631 . . . . 2.54 109.988 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.43 -42.97 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.187 -0.671 . . . . 2.75 109.187 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.83 -38.76 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 4.28 110.941 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.53 -27.39 66.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.061 -0.518 . . . . 4.07 111.998 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -98.74 -48.16 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.948 0.721 . . . . 3.38 112.948 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.4 -34.97 21.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.255 . . . . 3.71 111.69 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.24 -2.41 65.58 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.546 -0.835 . . . . 4.28 112.611 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 71' ' ' LEU . 27.6 mt -77.17 124.13 87.17 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.621 -0.14 . . . . 3.66 110.621 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.5 Cg_exo -53.34 138.44 64.79 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.166 2.577 . . . . 4.53 113.164 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -56.42 -29.44 77.64 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.388 2.725 . . . . 3.95 113.53 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.33 -30.17 70.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 5.06 111.749 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -92.73 0.57 57.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.334 -0.394 . . . . 5.01 110.854 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -93.82 115.72 28.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 3.41 112.335 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -116.38 109.02 16.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.451 -0.944 . . . . 3.91 108.451 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 50' ' ' LEU . 25.8 mt -96.14 131.78 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 2.45 111.871 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.72 129.96 64.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 2.43 110.576 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.4 t80 -122.4 118.69 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 2.81 110.586 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 29.43 17.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.918 -0.583 . . . . 2.92 111.866 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -9.07 78.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.847 -0.692 . . . . 2.98 112.465 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -96.53 131.62 42.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.035 -0.357 . . . . 4.25 110.035 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -79.65 143.19 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.482 -0.327 . . . . 4.45 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.9 mt -105.66 129.9 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 3.38 111.157 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.34 142.45 27.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 5.2 110.388 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -39.41 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 4.23 110.659 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.98 43.55 3.25 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.739 -0.664 . . . . 4.86 113.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -141.47 166.24 25.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.428 -0.582 . . . . 5.69 109.428 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 18.8 p -110.45 170.69 7.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.688 0.28 . . . . 4.3 110.919 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -66.95 -38.77 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 3.35 111.242 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -20.39 65.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 4.25 110.94 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 55' ' ' THR . 17.7 m-20 -66.8 -34.87 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 4.72 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 96.9 m-85 -103.09 8.5 38.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.761 -0.654 . . . . 3.92 111.098 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 66.24 29.56 9.58 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.942 0.776 . . . . 4.83 111.264 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.41 115.2 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.147 -0.479 . . . . 3.32 109.954 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -105.91 -167.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 4.49 110.582 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -71.35 144.99 49.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 4.58 110.997 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 64.53 30.19 12.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 4.05 111.583 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -78.9 136.31 37.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.02 -0.363 . . . . 2.8 110.02 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -95.39 112.4 24.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.205 0.526 . . . . 2.27 111.065 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -106.8 151.49 25.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.718 -0.673 . . . . 1.64 110.213 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -113.56 127.85 56.23 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -105.32 108.03 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.81 110.859 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -98.26 136.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.501 -0.772 . . . . 2.76 109.486 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 36' ' ' ILE . 60.1 mt -105.64 119.66 39.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.297 -0.26 . . . . 3.76 110.297 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -75.62 87.61 2.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.373 0.606 . . . . 4.92 110.193 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.92 131.83 35.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.79 . . . . 5.51 110.12 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -27.56 50.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.118 -0.492 . . . . 7.78 110.824 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -114.06 164.51 12.06 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.794 -0.717 . . . . 7.03 111.481 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.631 -1.094 . . . . 9.25 111.927 179.492 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.392 -0.596 . . . . 1.62 109.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' B' ' 69' ' ' ASP . 33.5 tp -58.64 110.93 1.09 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.85 111.621 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.5 m -104.63 90.5 3.52 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.145 -0.934 . . . . 1.13 110.322 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.411 ' O ' ' HD1' ' B' ' 14' ' ' TYR . 5.2 mt -88.89 119.22 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.39 -0.596 . . . . 1.12 109.39 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.37 106.52 9.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.048 0.452 . . . . 1.3 110.791 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -91.83 85.05 5.48 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.581 -0.896 . . . . 1.27 108.581 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 8' ' ' GLU . 3.1 mm-40 -74.85 2.44 10.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 2.53 112.225 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.76 -32.7 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.935 -0.765 . . . . 1.46 108.935 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.65 -6.36 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 1.95 110.36 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.54 31.42 60.82 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.944 -0.571 . . . . 1.46 112.173 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -107.12 120.11 41.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 2.73 111.12 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.08 138.26 30.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.719 -0.845 . . . . 1.48 108.719 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.473 ' CE2' ' HA ' ' B' ' 36' ' ' CYS . 13.3 m-85 -105.86 171.04 7.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.883 0.373 . . . . 1.33 111.145 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.71 161.72 48.27 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 1.35 112.404 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.34 112.07 3.44 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.719 2.279 . . . . 1.53 111.847 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -93.1 144.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 1.32 110.199 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -88.5 121.32 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.854 -0.425 . . . . 3.01 109.854 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 m -109.0 161.52 7.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.177 -0.465 . . . . 1.32 111.25 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -135.36 159.23 42.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 1.53 109.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.45 -28.59 63.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.896 0.379 . . . . 1.79 110.721 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.42 -4.64 57.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 2.33 110.609 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 28.0 ttt -79.03 127.83 32.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.014 -0.539 . . . . 1.35 110.038 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.41 146.78 54.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.58 . . . . 1.4 111.265 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.499 ' O ' HG12 ' B' ' 29' ' ' ILE . 25.5 tp -64.67 -43.85 92.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.871 -0.604 . . . . 1.38 109.668 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -30.66 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.26 111.719 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.15 -43.02 88.2 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.228 -0.656 . . . . 1.65 109.228 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.48 -42.24 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.02 109.216 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 25' ' ' LEU . 38.2 mm -60.96 -36.88 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.95 110.054 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.78 80.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 1.31 110.037 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.86 -38.19 87.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.289 0.566 . . . . 1.46 109.875 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 5.0 tp -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 1.01 110.936 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 41.1 mt-30 -75.3 -21.12 58.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 1.42 111.658 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.44 -63.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.126 0.417 . . . . 1.47 112.126 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.43 -57.9 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.904 -0.589 . . . . 1.56 112.1 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.66 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.5 t -70.12 -37.35 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.194 -0.457 . . . . 1.21 111.711 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.31 21.49 17.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.881 -0.676 . . . . 1.18 111.708 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 53.7 t80 -65.57 158.31 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.706 -0.479 . . . . 1.05 109.706 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 10.4 t70 -145.45 137.05 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.272 -0.64 . . . . 1.63 109.272 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -88.45 4.96 44.63 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.941 0.348 . . . . 1.71 111.941 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -44.61 2.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.651 0.262 . . . . 1.51 111.539 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -119.87 41.78 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 1.99 111.889 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 1.6 m80 -159.24 151.2 20.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.879 -0.415 . . . . 1.32 109.879 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -116.3 127.13 54.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.152 0.501 . . . . 1.18 109.989 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.516 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 34.3 tp -94.79 118.69 32.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.199 -0.455 . . . . 0.65 111.339 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 5.2 m-30 -98.93 109.89 22.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.177 0.513 . . . . 1.6 109.961 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -97.52 103.78 15.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.774 -0.648 . . . . 2.06 109.915 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 67.22 -78.81 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.687 0.617 . . . . 2.27 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mtm -145.56 18.24 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.728 0.299 . . . . 1.57 110.949 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -138.1 171.0 15.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.395 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.05 142.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.872 0.368 . . . . 1.56 110.867 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.42 89.51 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.97 110.062 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.66 162.65 17.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.633 -0.712 . . . . 1.21 111.104 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -60.56 -24.52 65.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.903 0.382 . . . . 1.0 111.325 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -67.34 -27.22 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.89 110.01 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -88.99 68.34 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 1.69 110.338 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 7.9 t -88.98 5.2 45.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.98 -0.554 . . . . 1.09 110.413 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -67.82 146.47 53.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 1.32 110.442 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -77.4 176.63 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.475 -0.329 . . . . 1.11 110.87 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' B' ' 65' ' ' LEU . 55.5 mt -56.79 -44.93 82.37 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.424 0.527 . . . . 1.19 112.424 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -70.6 -2.99 16.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.023 0.379 . . . . 1.45 112.023 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.05 -33.09 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 1.68 110.951 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -29.54 70.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 1.27 110.009 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.19 47.12 0.77 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.803 -0.713 . . . . 1.23 112.635 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 60' ' ' LEU . 2.8 mt -75.87 143.73 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.496 -0.557 . . . . 1.53 109.496 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -141.52 -155.68 0.61 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.154 -0.475 . . . . 1.83 110.867 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -24.78 67.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 2.36 111.735 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.95 104.69 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.025 -0.534 . . . . 1.39 110.428 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 3' ' ' LEU . 8.7 p-10 -118.69 122.21 41.96 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.57 -0.741 . . . . 2.28 109.596 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.448 HD13 ' H ' ' B' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 140.01 49.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 1.14 111.62 -179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.83 123.39 37.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.203 -0.908 . . . . 0.64 109.911 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 66.7 mt -106.21 130.25 54.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.046 0.45 . . . . 1.14 110.521 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.66 HG13 ' SG ' ' B' ' 36' ' ' CYS . 33.0 mm -98.98 117.59 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.69 -0.686 . . . . 0.84 110.745 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.595 ' HD3' ' OD1' ' B' ' 79' ' ' ASN . 1.6 mtt180 -142.03 -163.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.199 -0.455 . . . . 1.89 110.478 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.58 -117.87 5.85 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.755 -0.736 . . . . 1.24 112.21 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt 69.02 -99.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 122.996 0.519 . . . . 1.5 111.296 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 45.7 mt -121.08 -80.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.709 -0.223 . . . . 1.94 111.099 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.3 m -79.93 75.94 6.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.212 0.529 . . . . 2.24 111.061 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . 0.595 ' OD1' ' HD3' ' B' ' 74' ' ' ARG . 0.2 OUTLIER -178.5 -45.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.165 -0.925 . . . . 1.77 109.134 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.474 -0.774 . . . . 1.68 110.442 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.71 0.29 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -105.14 138.84 40.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.227 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -129.07 164.8 30.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.5 m-85 -120.84 118.05 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -97.96 121.8 48.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.142 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -98.61 122.86 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.385 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -89.02 169.08 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.67 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.005 0.431 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.988 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -0.49 71.47 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.21 137.26 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.629 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.1 122.55 52.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.36 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 129.22 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -133.55 139.25 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 111.679 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -91.29 115.84 28.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.29 162.34 39.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 59.5 mm-40 -117.78 156.48 49.73 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.09 -32.65 87.41 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.356 2.037 . . . . 0.0 112.597 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -91.05 19.97 5.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -91.83 128.41 37.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 152.74 40.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 50' ' ' LEU . 42.3 mm -58.8 -38.23 71.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 110.325 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -59.89 -32.08 70.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.553 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.12 -41.03 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.182 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.9 t -61.38 -45.42 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.272 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 23.1 mtmt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -36.93 83.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.216 0.532 . . . . 0.0 109.955 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -69.82 -35.3 74.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.824 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 61.3 mt -70.46 -37.7 71.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -63.51 -33.38 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.556 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.27 -29.44 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.65 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 111.838 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -80.98 -37.05 29.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.13 0.8 67.64 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.01 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -78.47 126.17 83.43 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 122.897 -0.178 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.1 Cg_exo -50.59 136.75 41.44 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.759 2.306 . . . . 0.0 112.07 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 28.1 Cg_exo -60.98 -19.03 61.07 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.788 2.325 . . . . 0.0 112.676 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.56 -36.32 76.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.801 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.15 9.69 34.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.37 107.85 20.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 111.307 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -107.6 110.85 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.774 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.53 124.64 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 111.388 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.15 132.6 71.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.205 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.23 105.28 7.81 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.803 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.52 38.82 22.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.41 -24.99 13.96 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.13 132.44 45.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -86.96 117.18 25.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.543 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 23' ' ' ILE . 11.1 mp -83.07 125.36 31.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.07 0.462 . . . . 0.0 111.157 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -103.91 147.06 27.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.99 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.74 -37.9 71.65 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 42.23 3.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.165 -0.54 . . . . 0.0 113.395 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -139.51 163.33 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 6.5 p -107.73 173.73 6.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.439 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.1 mt -71.23 -37.22 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.661 0.267 . . . . 0.0 111.478 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -17.49 63.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -62.01 -36.39 81.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.654 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 72.2 m-85 -103.71 6.54 36.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 67.27 37.43 3.62 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.826 0.704 . . . . 0.0 111.54 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.8 mt -77.47 120.22 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.926 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -108.58 -167.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.696 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -74.02 149.31 41.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.277 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 67.6 14.1 9.46 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.011 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -75.4 140.03 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -103.21 119.85 39.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.703 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.25 149.67 24.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.794 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.83 114.9 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.909 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 tp -100.94 104.48 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.83 146.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.6 mt -99.13 -170.97 2.0 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.35 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 105.84 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.01 133.65 49.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.072 0.463 . . . . 0.0 110.478 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -133.21 12.95 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.31 126.12 7.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.666 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.077 -1.402 . . . . 0.0 111.008 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.4 t0 . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 120.834 0.35 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.467 HD22 HG11 ' B' ' 19' ' ' VAL . 49.8 tp -100.5 91.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 115.43 22.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.006 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.92 126.22 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.669 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -115.81 123.32 47.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 111.926 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -117.68 80.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.66 -2.37 35.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.495 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.86 -39.7 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.228 0.537 . . . . 0.0 110.157 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -111.08 -7.32 14.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.155 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.53 11.15 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.591 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.7 120.97 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -99.28 136.84 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.84 153.22 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.701 0.286 . . . . 0.0 110.806 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.6 138.6 48.3 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 113.424 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.4 135.01 67.88 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.201 2.601 . . . . 0.0 111.815 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.47 141.52 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -89.66 112.67 23.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.615 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.537 HG12 HD21 ' B' ' 28' ' ' LEU . 19.5 m -103.16 164.15 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -135.58 159.18 42.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.66 -20.95 60.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -91.06 -4.69 56.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.0 ttt -80.29 128.67 33.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.63 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 134.72 53.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -60.51 -30.08 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.48 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.954 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.83 -38.79 89.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.394 0.616 . . . . 0.0 109.547 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.537 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -63.03 -43.78 97.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.712 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' B' ' 33' ' ' GLN . 46.8 mm -64.04 -40.71 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.141 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.68 76.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.23 -42.23 99.12 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.5 -40.16 86.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 43.2 mt-30 -74.26 -35.21 63.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.846 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.54 -31.39 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.79 -59.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.628 ' SG ' HG13 ' B' ' 73' ' ' ILE . 45.6 t -76.92 -14.28 59.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.696 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.69 24.54 58.21 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.05 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 71.3 t80 -66.5 159.25 27.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.795 0.331 . . . . 0.0 110.415 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.02 145.74 25.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -104.04 30.79 4.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.4 -40.28 2.49 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.275 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -138.59 31.01 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 0.0 111.235 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' B' ' 74' ' ' ARG . 0.1 OUTLIER -136.18 147.56 47.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.159 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -112.66 127.56 56.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.486 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 30.6 tp -94.76 120.48 35.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.777 0.322 . . . . 0.0 110.589 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -105.91 112.55 25.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.206 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.67 123.79 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 62.14 -83.32 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 28.0 ttm -149.91 17.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.65 179.5 5.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.488 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -115.49 139.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.758 0.313 . . . . 0.0 110.335 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -73.46 95.18 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.118 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -85.47 159.7 19.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.437 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -61.14 -28.96 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -72.73 -17.67 61.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -81.89 71.55 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 11.1 t -92.83 14.81 16.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.306 0.574 . . . . 0.0 109.734 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' B' ' 58' ' ' GLN . 7.2 mt-30 -75.19 147.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.209 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.8 OUTLIER -81.44 175.58 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.952 0.406 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.48 -40.6 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.917 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -71.79 -9.7 58.68 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -104.42 -36.5 7.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.13 -26.62 64.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.559 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.96 17.17 35.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.577 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.26 114.8 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.491 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 0.0 OUTLIER -93.84 176.03 6.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.15 0.5 . . . . 0.0 110.958 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -20.15 65.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.722 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.82 19.12 20.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.7 179.38 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.563 0.22 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.84 176.57 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.468 . . . . 0.0 111.697 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.75 126.16 16.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.204 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.67 136.91 52.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.2 0.524 . . . . 0.0 111.985 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.628 HG13 ' SG ' ' B' ' 36' ' ' CYS . 44.6 mm -107.75 112.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.046 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' B' ' 43' ' ' HIS . 62.6 mtp85 -136.62 -172.55 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.566 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 109.4 -132.56 11.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.716 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.6 mmmt 73.43 -100.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.138 0.575 . . . . 0.0 112.229 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.05 -81.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.74 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -90.18 90.19 7.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -169.28 -66.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . 0.416 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.616 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.751 0.31 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -106.59 132.92 52.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -121.95 160.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.14 107.6 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.49 125.33 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 94.0 mttt -111.59 125.38 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 5.6 p -91.72 173.4 7.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.76 -28.15 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -7.92 54.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.11 29.02 32.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.735 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 47.4 mtpt -95.38 131.92 40.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.582 ' CAC' ' CAA' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -101.94 112.57 35.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.071 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -81.84 127.65 33.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.747 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.3 144.44 51.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.803 0.335 . . . . 0.0 111.218 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.75 108.01 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 0.0 109.752 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.34 171.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.451 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.9 mm-40 -127.95 156.64 75.76 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.88 -24.76 40.32 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.403 2.069 . . . . 0.0 112.572 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.51 4.03 45.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.996 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -88.41 140.29 29.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 155.55 20.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 51.6 mm -59.39 -41.57 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.396 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.93 -38.97 76.88 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.013 0.435 . . . . 0.0 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.51 -36.89 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.936 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.08 -39.46 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.2 mmmm -60.37 -39.65 88.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.926 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.78 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.532 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.39 -39.0 91.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.03 0.443 . . . . 0.0 110.342 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.34 -37.34 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 55.7 tt0 -63.37 -33.52 75.71 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.431 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.21 -46.12 82.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.352 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -84.82 -58.01 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -71.83 -35.44 69.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 83.09 43.97 7.3 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.224 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.0 mt -122.25 128.37 25.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.9 Cg_exo -55.72 138.84 82.49 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.634 2.222 . . . . 0.0 112.28 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -59.13 -24.62 74.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.924 2.416 . . . . 0.0 112.903 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -21.53 58.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.122 0.487 . . . . 0.0 111.294 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.47 10.6 40.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.022 0.439 . . . . 0.0 110.013 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -112.71 126.51 55.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.665 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -122.15 102.8 8.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.52 129.83 34.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -133.59 133.2 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -129.03 114.39 16.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.29 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.82 47.79 17.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.874 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.71 15.74 75.83 Favored Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.418 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -123.06 121.45 36.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.018 0.409 . . . . 0.0 110.731 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' HG13 ' B' ' 13' ' ' ILE . 29.4 tt0 -74.68 135.9 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -94.88 125.75 39.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 27.3 mt-10 -86.65 138.43 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.49 -40.76 62.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.2 36.54 3.18 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.823 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 23.7 mmt180 -130.09 167.33 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.043 0.422 . . . . 0.0 110.164 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.82 159.56 15.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.151 0.501 . . . . 0.0 110.495 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -20.46 62.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.082 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.92 -27.09 63.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 0.0 110.487 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.83 8.26 34.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 62.67 34.45 14.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.606 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -76.17 123.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.98 0.419 . . . . 0.0 110.311 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -111.87 -160.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.247 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -76.98 149.24 35.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.706 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 63.36 31.26 15.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.034 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 m -85.43 129.44 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.221 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.92 115.18 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.32 133.83 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -93.58 119.93 33.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 38.9 tp -108.05 111.99 24.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.447 . . . . 0.0 111.143 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.46 133.83 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.688 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.42 129.26 37.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -115.92 112.77 22.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.43 166.46 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -109.17 -14.22 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.242 0.544 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.46 128.43 4.49 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.844 -0.976 . . . . 0.0 112.049 -179.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 121.02 0.438 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 13.0 tp -90.39 82.51 5.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 50.8 m -64.14 107.55 1.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.096 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.51 129.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.46 128.75 51.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.17 0.509 . . . . 0.0 111.652 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -95.56 107.26 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -84.06 3.84 32.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.3 -45.76 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.966 0.412 . . . . 0.0 110.338 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -3.53 18.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.471 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 53.07 27.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.843 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -116.43 137.91 51.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.455 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 49' ' ' GLN . 42.9 mm -112.29 120.98 63.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.45 159.26 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.096 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.3 173.14 16.01 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.53 -0.759 . . . . 0.0 114.094 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.33 86.99 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.319 2.68 . . . . 0.0 112.53 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.75 133.0 32.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.157 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -104.34 123.54 47.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -117.34 176.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.77 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.8 t -140.71 153.54 45.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.014 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.81 -18.56 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.046 0.45 . . . . 0.0 110.303 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.53 -0.87 57.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.43 128.61 37.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.736 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.24 136.83 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.275 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.509 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.4 pt? -62.05 -27.69 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.707 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.69 95.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.47 -36.84 83.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.056 0.455 . . . . 0.0 109.95 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -67.26 -41.35 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.589 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 25' ' ' LEU . 41.4 mm -61.62 -38.13 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.577 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -51.37 68.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.263 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.23 -38.1 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.272 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 -37.88 89.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.756 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.46 -36.81 68.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.2 -50.69 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.31 -65.25 1.03 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' B' ' 73' ' ' ILE . 44.4 t -64.19 -38.9 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.601 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.53 31.87 6.57 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.598 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 62.8 t80 -75.88 154.66 35.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.965 0.412 . . . . 0.0 110.429 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.599 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 14.0 t70 -139.92 137.37 34.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.66 1.4 53.83 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.84 8.99 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.45 34.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.147 0.499 . . . . 0.0 110.951 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 10.1 m80 -155.24 154.68 32.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.824 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -115.44 112.73 22.73 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.412 0.445 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 36.3 tp -84.53 115.66 22.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.843 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' B' ' 51' ' ' ILE . 43.3 m-85 -101.74 115.42 30.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.188 0.518 . . . . 0.0 111.078 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 120.74 42.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 64.43 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.5 mtm -144.39 2.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.257 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -124.51 170.43 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.0 110.819 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.403 HG12 ' CE2' ' B' ' 46' ' ' TYR . 8.0 mt -93.6 145.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.3 OUTLIER -77.72 90.39 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -80.7 160.1 25.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.003 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -25.79 64.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.368 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -71.75 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.483 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -91.08 67.73 5.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.766 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.3 t -87.73 -0.59 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.466 0.65 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' B' ' 62' ' ' GLU . 1.1 pt20 -64.66 138.8 58.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.371 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.487 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 72.8 m -78.29 -179.96 6.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.4 mt -48.81 -51.23 30.5 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.487 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -62.23 -21.17 64.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 58' ' ' GLN . 6.0 mt-10 -94.81 -36.95 11.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.216 -0.303 . . . . 0.0 111.099 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.56 -26.31 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.31 0.37 31.21 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.678 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.45 147.33 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.809 0.338 . . . . 0.0 110.168 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.526 ' HG2' ' H ' ' B' ' 67' ' ' THR . 0.1 OUTLIER -127.85 -76.14 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.712 -178.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' B' ' 66' ' ' LYS . 1.2 m -161.29 -24.15 0.05 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.703 0.287 . . . . 0.0 111.356 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.54 25.67 10.45 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.96 -174.59 4.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.15 168.37 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.833 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -144.37 137.3 27.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mp -117.57 134.2 55.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.398 . . . . 0.0 111.021 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.543 HG13 ' SG ' ' B' ' 36' ' ' CYS . 43.0 mm -105.91 114.68 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.539 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -134.04 -160.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' B' ' 79' ' ' ASN . . . 111.34 -141.96 16.75 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.082 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 29.3 mmmt 67.71 -163.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.909 0.385 . . . . 0.0 110.56 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.86 -57.9 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 84.52 7.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' B' ' 75' ' ' GLY . 6.5 t30 178.28 -70.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.106 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.265 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.8 ptt? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -98.29 134.47 41.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -131.96 164.65 34.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' HB3' ' SG ' ' A' ' 12' ' ' 3X9 . 87.9 m-85 -125.14 134.84 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.4 t -119.57 112.11 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 4.0 mmtp -90.39 118.61 30.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.741 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -83.12 172.19 12.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.132 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.94 -11.54 60.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.95 -10.33 36.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.305 0.574 . . . . 0.0 110.539 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA3' ' ND2' ' B' ' 48' ' ' ASN . . . 100.74 4.93 54.34 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.803 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -79.3 143.09 35.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.668 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 13' ' ' ILE . 4.4 mt -75.97 131.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.41 120.46 35.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.952 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.53 142.94 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.826 0.346 . . . . 0.0 111.517 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -112.43 92.79 4.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 1' ' ' MET . 10.5 m -130.57 163.92 34.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.124 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.0 mm-40 -107.36 158.77 32.32 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.67 -17.55 36.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 0.0 112.715 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.01 1.43 47.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.825 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.93 148.71 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -88.08 151.71 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.175 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -59.06 -44.68 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.52 -37.43 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.51 -41.94 92.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' THR . 61.3 t -63.03 -41.65 93.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.006 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.33 -35.35 78.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.7 84.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 0.0 109.935 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.75 -31.72 66.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.76 -38.19 78.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -63.12 -30.03 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.319 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -74.53 -27.35 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.178 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -97.04 -46.86 6.02 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.85 -22.0 19.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.62 26.6 64.91 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.637 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -104.3 123.28 41.11 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 77.4 Cg_exo -50.38 136.33 39.71 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.773 2.316 . . . . 0.0 112.696 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 11.6 Cg_exo -67.8 -5.92 15.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.72 2.28 . . . . 0.0 112.456 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.88 -13.02 46.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -118.62 16.27 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 109.774 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -100.72 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.066 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -109.64 104.75 13.82 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.04 119.46 32.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.16 0.505 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.95 127.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.715 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -115.84 99.14 7.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 49.05 9.08 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.385 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.6 -19.24 25.41 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.561 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -94.12 119.7 33.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.017 0.409 . . . . 0.0 111.215 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -80.38 133.84 35.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.86 149.77 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.544 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -102.32 151.91 21.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.773 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.31 -49.03 78.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.683 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.86 50.52 4.42 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.037 -0.602 . . . . 0.0 113.99 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -138.89 164.66 29.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.05 158.63 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.186 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.1 mt -59.26 -33.65 71.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.465 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -66.7 -24.58 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.598 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -93.2 14.45 18.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.415 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 60.05 33.68 21.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.823 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -75.56 118.54 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -110.35 -163.13 0.84 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -75.82 151.74 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.32 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 66.74 19.4 10.74 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.817 0.698 . . . . 0.0 111.963 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -80.15 129.08 34.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.779 0.323 . . . . 0.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 14.4 m -104.17 117.27 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.48 160.05 15.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.996 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 122.46 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.757 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -104.69 110.93 23.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.13 153.16 9.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.246 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.7 -165.02 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.134 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.24 65.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.43 126.43 29.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 74' ' ' ARG . 47.2 mtm105 -113.66 126.65 55.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.857 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.11 -155.73 23.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.904 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.331 -1.26 . . . . 0.0 111.657 -179.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t0 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.297 0.57 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' B' ' 16' ' ' PRO . 18.2 tp -71.04 125.89 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -109.72 115.22 29.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.364 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -108.61 130.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -136.09 143.23 44.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -134.71 91.71 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -80.42 12.05 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.05 -31.6 61.33 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.22 3.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.434 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.5 54.23 6.9 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.374 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -108.87 102.05 11.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.097 0.475 . . . . 0.0 110.831 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mm -90.82 113.03 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.103 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' B' ' 36' ' ' CYS . 28.5 m-85 -91.31 140.58 29.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.28 148.07 51.14 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.939 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' B' ' 3' ' ' LEU . 12.3 Cg_endo -57.11 130.42 39.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.417 2.745 . . . . 0.0 112.4 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.42 146.97 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -101.72 110.88 22.96 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.715 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 m -92.71 179.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.882 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.4 t -146.63 155.68 42.64 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.075 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.52 -12.56 60.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -99.3 4.09 46.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.244 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.0 ttt -89.35 135.66 33.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.03 135.23 44.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' B' ' 26' ' ' THR . 0.6 OUTLIER -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.499 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.418 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -65.64 -34.43 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 8.0 t70 -68.58 -38.84 81.02 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.33 -43.74 93.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.808 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.95 -39.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.797 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.43 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 84.7 mt -60.69 -40.02 90.61 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.376 0.608 . . . . 0.0 109.896 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 4.7 mp -65.82 -41.77 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.25 -19.98 60.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.49 -63.02 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.94 -55.18 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.542 ' SG ' HG13 ' B' ' 73' ' ' ILE . 3.6 t -66.44 -28.41 68.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.493 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.29 21.1 55.7 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.396 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 45.0 t80 -65.74 157.22 30.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.117 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 6.2 t70 -148.67 132.15 16.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.087 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -84.8 21.69 1.51 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.007 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -117.31 -57.55 2.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -116.58 12.52 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.2 m80 -121.86 147.45 45.97 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.953 -0.467 . . . . 0.0 109.982 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -109.06 136.47 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 44.3 tp -105.91 128.8 54.02 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' B' ' 74' ' ' ARG . 12.1 m-85 -118.66 128.19 54.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.893 0.378 . . . . 0.0 111.595 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.44 109.51 19.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.427 ' ND2' ' HA3' ' A' ' 10' ' ' GLY . 27.3 t-20 65.16 -78.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.747 0.654 . . . . 0.0 111.091 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 8.1 mtm -148.97 21.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -132.68 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.675 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.3 mt -87.45 135.59 25.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.38 94.61 3.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.275 0.56 . . . . 0.0 110.39 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.74 165.76 13.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.203 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.0 -26.08 67.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.675 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.21 -15.24 62.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -96.73 46.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.535 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -79.97 40.13 0.46 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.84 0.829 . . . . 0.0 110.297 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.14 146.51 24.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.17 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -73.76 169.72 16.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.207 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.25 -29.75 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.374 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -78.65 -5.2 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.343 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.02 -37.96 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.15 -36.62 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.506 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.26 29.61 2.94 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.089 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.36 146.77 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -157.79 -67.7 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 111.227 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -158.48 -45.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.216 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 12.3 p-10 -89.59 34.18 0.83 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.669 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.427 ' C ' HD13 ' B' ' 70' ' ' LEU . 0.6 OUTLIER -100.54 167.74 10.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.427 HD13 ' C ' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -156.33 152.63 27.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -129.82 131.94 46.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.83 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -116.32 135.68 53.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.508 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.542 HG13 ' SG ' ' B' ' 36' ' ' CYS . 11.2 mm -102.49 124.01 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.351 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.472 ' HB2' ' CE1' ' B' ' 46' ' ' TYR . 44.1 mtp85 -139.35 -159.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' B' ' 76' ' ' LYS . . . 104.83 -133.81 11.73 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.519 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 21.1 mmmt 71.47 -102.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.056 0.542 . . . . 0.0 111.456 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.2 mt -129.86 -58.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 111.405 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.47 60.06 5.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.721 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -165.68 -58.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.721 -0.657 . . . . 0.0 110.971 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptt? . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -109.6 141.73 41.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -130.75 162.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.397 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.0 m-85 -117.42 134.18 55.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.222 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.83 121.22 67.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.723 0.297 . . . . 0.0 110.579 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -97.04 123.59 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.195 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -92.33 175.76 6.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.94 -8.45 56.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.065 0.46 . . . . 0.0 110.86 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -99.66 -5.32 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.01 45.95 6.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.601 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -103.66 153.6 20.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 110.802 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.629 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -95.65 121.99 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.883 0.373 . . . . 0.0 111.494 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -98.1 127.53 44.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.984 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -128.11 140.47 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -88.41 113.91 24.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.7 m -138.05 164.37 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.502 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.4 mm-40 -120.73 161.91 37.46 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -36.09 79.7 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.317 2.011 . . . . 0.0 113.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 9.92 20.47 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.5 t0 -75.7 133.9 40.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.794 0.331 . . . . 0.0 110.13 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.46 148.32 31.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 41.9 mm -59.13 -40.93 82.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.461 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.4 -36.59 76.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.625 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 58.1 t30 -66.93 -35.78 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.245 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 37.1 t -66.38 -38.44 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 3.3 mmmm -61.32 -37.06 81.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.697 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.39 78.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 49.7 mttt -68.84 -37.69 79.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.087 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.9 mt -68.21 -33.78 62.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 121.354 0.597 . . . . 0.0 109.614 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.5 tt0 -64.46 -31.94 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.302 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -74.22 -35.71 63.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 63.5 mmtt -81.65 -63.31 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.163 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.68 -32.61 31.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 89.88 9.88 65.46 Favored Glycine 0 N--CA 1.458 0.124 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.4 mt -87.14 130.41 48.14 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.5 Cg_exo -56.12 131.49 46.22 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.595 2.196 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 67.8 Cg_exo -55.05 -26.71 51.36 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 123.271 2.647 . . . . 0.0 113.1 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.1 65.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.338 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -99.98 -1.32 37.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 80.1 mt-30 -92.2 124.4 36.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.807 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -91.07 126.27 36.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.02 127.73 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.494 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -131.01 124.06 30.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.505 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.54 39.4 11.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.486 0.491 . . . . 0.0 111.31 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 17.43 72.26 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.315 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -131.08 138.03 49.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.81 0.305 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.46 139.92 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -93.69 143.5 26.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.08 -20.69 65.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.571 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.01 26.61 14.0 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -133.49 171.57 13.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.13 170.02 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.358 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 18' ' ' GLU . 85.4 mt -63.55 -35.46 80.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -71.82 -12.58 61.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -77.28 -11.44 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.542 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.38 10.34 10.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.716 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 63.88 32.28 13.39 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.854 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -75.66 128.0 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.48 -165.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.671 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -75.74 148.82 38.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.721 0.296 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 64.81 17.38 10.96 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.432 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -75.69 145.25 41.09 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' B' ' 68' ' ' ASP . 3.4 m -109.99 127.58 54.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.251 0.548 . . . . 0.0 111.433 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.42 160.28 15.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -114.45 120.73 41.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -102.67 115.15 30.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 111.661 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.08 133.93 53.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.554 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 mt -107.2 137.63 44.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -162.71 143.21 9.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.01 173.99 9.95 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.331 0.395 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.859 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.03 121.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.705 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.782 0 CA-C-O 118.829 -0.984 . . . . 0.0 111.635 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.965 0.412 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 tp -129.48 80.74 1.98 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 114.9 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.85 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -103.11 128.17 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -124.38 119.98 30.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.063 0.458 . . . . 0.0 111.687 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . 0.469 ' HA ' ' HB ' ' B' ' 73' ' ' ILE . 47.2 t30 -90.46 100.61 13.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.34 -7.02 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.526 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.67 -42.34 70.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.381 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -5.75 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.26 59.11 2.46 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.859 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -118.11 123.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.458 0.17 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -105.04 123.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -95.67 170.93 8.99 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.831 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.91 -169.0 30.19 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.988 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -88.67 102.55 0.41 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.479 2.786 . . . . 0.0 113.506 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 23.4 mt -83.07 118.6 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -81.98 101.04 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -82.59 176.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.465 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t -145.98 148.07 32.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.144 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.2 -7.7 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.499 . . . . 0.0 110.786 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.28 3.96 36.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.03 128.68 37.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.747 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.81 53.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 29' ' ' ILE . 2.6 pt? -60.77 -27.74 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.532 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -33.63 76.18 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.087 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' B' ' 31' ' ' LEU . 23.2 t70 -71.79 -37.19 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.0 -41.89 94.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.36 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.0 mm -66.77 -33.98 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.905 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.82 96.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.935 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 27' ' ' ASP . 32.0 mt -68.19 -39.83 82.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.77 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 12.5 tp -62.97 -40.09 96.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -75.14 -28.22 60.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.91 -55.35 4.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.28 -56.49 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 73' ' ' ILE . 50.7 t -66.32 -23.88 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.5 28.25 33.41 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.752 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 49.1 t80 -73.4 168.22 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -158.74 146.54 17.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -93.82 10.1 34.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -66.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.867 0.365 . . . . 0.0 111.457 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.66 51.52 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.0 110.874 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.36 151.55 26.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -128.21 138.07 52.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 48.8 tp -112.08 132.94 54.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.861 0.363 . . . . 0.0 110.812 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.76 130.85 53.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.139 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -107.32 109.26 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 65.13 -77.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.609 0.568 . . . . 0.0 110.79 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -145.74 8.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -112.91 165.66 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.441 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.89 140.64 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.193 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 52' ' ' LEU . 1.1 mm? -82.26 87.37 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ARG . 19.6 t70 -73.84 163.03 28.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 47.8 m -62.77 -28.84 70.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.707 0.289 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.13 -6.62 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.062 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' B' ' 53' ' ' ASP . 16.2 mmt180 -79.11 62.39 3.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -84.53 31.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.907 0.86 . . . . 0.0 110.316 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -98.76 125.0 43.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.959 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.496 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 1.1 m -73.41 178.36 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.541 0.21 . . . . 0.0 111.066 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -46.8 -52.87 13.17 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.496 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -65.31 -24.06 67.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.26 -34.02 22.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.658 0.266 . . . . 0.0 110.541 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.88 -32.17 63.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.485 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.01 12.65 25.31 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.373 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.409 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 0.7 OUTLIER -60.09 123.71 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.261 -0.47 . . . . 0.0 110.642 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.529 ' NZ ' ' OAH' ' A' ' 12' ' ' 3X9 . 0.5 OUTLIER -116.19 -171.59 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.653 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -79.03 10.67 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 3.2 p30 -132.45 16.02 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.984 0.356 . . . . 0.0 111.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.409 ' OD2' ' HA ' ' B' ' 65' ' ' LEU . 11.5 m-20 -85.08 -171.99 3.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.021 0.439 . . . . 0.0 111.794 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.94 157.51 29.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.081 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -120.77 132.21 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.93 122.43 45.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.272 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.476 HG13 ' SG ' ' B' ' 36' ' ' CYS . 12.0 mm -101.47 112.19 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.934 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -138.75 -158.44 0.86 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -135.48 12.28 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.27 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 71.06 -101.39 0.04 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.336 0.654 . . . . 0.0 111.875 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -73.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.584 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 67.62 2.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.425 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -168.41 -66.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.937 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.124 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.699 0.285 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.36 133.88 50.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -127.75 160.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -117.65 143.08 46.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.563 0.221 . . . . 0.0 110.739 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.13 123.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 110.241 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -96.12 123.48 39.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -88.14 178.07 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.386 0.429 . . . . 0.0 110.526 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.61 8.55 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.304 0.573 . . . . 0.0 110.381 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.1 8.36 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.754 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.3 12.76 83.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.787 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -86.86 151.59 23.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.569 ' CAA' ' CAC' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 pt -102.88 138.6 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -95.54 127.2 41.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD11 HG12 ' A' ' 30' ' ' ILE . 82.1 mt -118.92 132.05 56.07 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.987 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -88.66 112.13 22.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.01 -177.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.298 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -142.16 161.26 51.62 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.82 -39.1 68.47 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 113.212 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.74 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -81.82 134.68 35.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.121 0.486 . . . . 0.0 110.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.91 144.18 43.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.818 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.81 -33.91 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.12 -38.6 79.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.226 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.03 -38.59 88.81 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.782 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.7 t -61.77 -43.51 97.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.494 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 4.3 mmmm -61.82 -40.8 96.51 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.01 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.17 85.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.607 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -37.54 87.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.152 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG12 HD11 ' A' ' 15' ' ' LEU . 60.8 mt -71.93 -34.02 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -67.12 -34.67 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.939 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.5 -32.48 68.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -92.35 -54.04 3.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.31 -33.22 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.08 10.72 58.3 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.763 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 42.7 mt -88.38 125.57 63.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 31.6 Cg_exo -61.51 134.28 50.42 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.559 2.173 . . . . 0.0 112.238 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.14 -29.56 46.4 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.344 2.696 . . . . 0.0 113.401 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.83 -18.95 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.066 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -110.57 20.96 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 110.746 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-30 -119.34 128.61 54.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.035 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -119.76 118.43 30.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.24 116.3 32.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.263 0.554 . . . . 0.0 111.569 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 13.2 mt -109.27 126.16 66.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.143 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -127.94 108.42 10.67 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.03 29.39 16.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.252 0.549 . . . . 0.0 110.5 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' HG3' ' B' ' 16' ' ' PRO . . . 89.67 -6.42 83.06 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.908 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -96.96 132.1 43.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.749 0.309 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.46 125.61 34.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.68 137.18 32.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.594 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 46.2 mt-10 -94.65 142.88 26.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.95 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.06 -37.16 71.42 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.81 21.42 5.56 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.899 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 31.1 mmt180 -121.1 168.69 11.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.299 0.549 . . . . 0.0 109.614 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.45 162.61 14.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.032 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 70.3 mt -62.59 -31.97 72.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.149 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -67.99 -23.49 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.581 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.78 -36.22 83.16 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 111.267 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -101.22 11.6 39.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 59.65 35.61 22.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.291 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.83 110.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.097 0.475 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -97.25 -169.92 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.583 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -71.51 158.86 35.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.407 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 61.17 30.08 19.14 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.121 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -96.56 137.65 35.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.049 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -105.12 120.78 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.587 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.19 154.95 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.393 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 5.7 m80 -102.26 112.39 25.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.512 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -93.35 116.65 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.104 0.478 . . . . 0.0 111.145 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.2 139.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -95.83 163.61 13.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 111.277 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -109.55 78.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.819 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -93.65 151.37 19.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.231 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -84.83 -26.15 27.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.945 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.11 -171.88 39.79 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.579 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.863 0 CA-C-O 119.057 -0.857 . . . . 0.0 111.298 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' B' ' 17' ' ' ILE . 25.3 tp -142.16 95.39 2.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.85 126.29 32.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 mt -116.74 130.33 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -116.68 129.82 56.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.199 0.523 . . . . 0.0 111.859 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -99.85 91.34 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 11.47 1.54 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.014 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.65 -66.28 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -21.8 35.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.778 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.12 34.56 8.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -99.76 129.92 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.35 . . . . 0.0 110.67 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.62 120.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.798 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.35 148.93 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -147.69 6.71 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.846 -0.693 . . . . 0.0 114.232 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.401 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 95.4 Cg_endo -80.1 85.75 1.78 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.172 2.581 . . . . 0.0 114.102 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 70.5 mt -78.28 94.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 3.4 tp10 -66.09 133.12 50.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.215 0.531 . . . . 0.0 111.92 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.21 142.03 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.8 t -98.22 152.66 19.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -70.73 -15.47 62.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.898 0.38 . . . . 0.0 110.291 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.04 0.77 52.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.403 0.621 . . . . 0.0 110.305 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ttt -82.46 133.84 35.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.474 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.02 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.586 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -65.48 -32.45 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.181 0.515 . . . . 0.0 109.666 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -62.46 -37.03 84.35 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.37 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.66 -46.81 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.636 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.98 -43.93 94.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.586 HG12 ' O ' ' B' ' 25' ' ' LEU . 48.5 mm -61.65 -39.85 84.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.25 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.74 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.941 0.401 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.34 -37.31 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.68 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.91 -35.57 81.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 44.7 mt-30 -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.59 -51.91 3.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.924 0.393 . . . . 0.0 111.103 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.617 ' SG ' HG13 ' B' ' 73' ' ' ILE . 39.8 t -66.59 -37.25 84.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.578 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.47 29.33 7.1 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -73.4 164.75 26.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 17.6 t70 -156.18 132.88 10.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -76.37 -4.09 40.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -27.56 10.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -140.24 45.02 1.87 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 5.5 m80 -156.56 148.26 22.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.32 123.71 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.429 HD11 ' HG ' ' B' ' 71' ' ' LEU . 33.1 tp -96.3 123.13 39.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -105.5 121.84 44.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.311 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.67 94.25 5.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 63.62 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.16 8.63 4.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.279 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.76 146.81 48.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.588 0.232 . . . . 0.0 111.176 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -90.36 132.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.4 101.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -91.9 163.79 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -64.08 -24.34 67.66 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.642 0.377 . . . . 0.0 111.97 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -77.77 -18.27 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.457 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -80.24 78.13 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -95.22 18.04 13.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 110.629 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -74.49 137.9 42.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.408 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.9 OUTLIER -76.62 179.28 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.288 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.39 -45.78 69.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -67.44 -29.05 68.42 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.49 -36.03 19.26 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.889 0.376 . . . . 0.0 110.487 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.47 47.62 1.51 Allowed Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.911 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.86 138.94 41.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.434 ' NZ ' ' OAH' ' A' ' 12' ' ' 3X9 . 0.4 OUTLIER -138.07 -55.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -85.03 4.41 34.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.317 0.579 . . . . 0.0 111.145 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.83 178.84 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.15 172.11 19.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 111.033 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' B' ' 45' ' ' LEU . 1.8 tp -130.29 136.24 48.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.597 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.31 134.93 53.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.878 0.371 . . . . 0.0 111.759 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.617 HG13 ' SG ' ' B' ' 36' ' ' CYS . 27.1 mm -104.18 112.08 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.704 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -132.34 -164.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 110.108 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.46 -123.71 7.78 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.61 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' B' ' 76' ' ' LYS . 27.9 mmmt 66.29 -99.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.075 0.55 . . . . 0.0 110.796 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.1 -52.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.872 0.368 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 61.83 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -171.03 -67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.627 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.8 0.334 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -112.31 134.81 53.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 pt -122.66 155.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.36 137.68 48.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.92 123.12 70.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -99.68 116.82 32.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -87.63 173.87 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 0.0 110.691 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD11 ' H ' ' A' ' 71' ' ' LEU . 11.9 mt -74.32 -1.18 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.289 0.566 . . . . 0.0 110.872 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 7.34 28.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.831 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' B' ' 49' ' ' MET . . . 73.92 16.15 79.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.233 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -91.14 110.89 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.679 ' CAD' ' CAB' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.2 pt -109.24 164.86 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.405 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -115.24 137.48 51.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.599 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -131.76 138.43 48.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -90.76 122.07 33.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.134 0.493 . . . . 0.0 109.91 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.08 167.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.4 mm-40 -118.99 157.69 49.87 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.43 -22.85 44.16 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.302 2.002 . . . . 0.0 113.075 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.5 -2.81 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.731 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -74.83 134.97 41.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.76 159.36 23.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.426 179.157 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.61 -37.99 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.86 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.5 -38.5 91.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.073 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 56' ' ' LEU . 48.7 t -67.53 -38.79 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.004 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.66 -37.06 80.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.47 80.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.94 -38.56 72.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.846 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.69 -40.23 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.1 tt0 -67.39 -28.24 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.517 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.54 -42.25 74.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -87.22 -55.3 3.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.034 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -74.62 -40.56 61.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.687 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.65 7.85 62.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.785 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.47 129.0 54.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.132 0.173 . . . . 0.0 110.712 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.6 Cg_exo -57.42 137.57 82.15 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 122.896 2.397 . . . . 0.0 112.425 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.9 Cg_exo -57.74 -24.58 64.12 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.14 2.56 . . . . 0.0 112.514 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -26.28 65.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.17 9.01 40.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.843 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -100.87 128.46 46.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.563 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.95 105.17 8.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -95.79 122.38 38.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.226 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.497 HG12 HG21 ' B' ' 13' ' ' ILE . 3.3 mp -127.91 125.06 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.738 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -114.86 112.52 22.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.42 54.42 10.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.63 0.581 . . . . 0.0 111.859 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.47 -8.65 9.31 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.941 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -94.77 120.37 34.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.296 0.548 . . . . 0.0 110.805 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -80.9 122.87 27.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.06 131.43 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.363 . . . . 0.0 111.519 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -89.48 153.54 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.36 -42.92 92.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.464 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 45.16 3.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.646 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -142.1 161.8 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 48.3 p -105.91 162.28 13.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.718 0.294 . . . . 0.0 110.495 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD21 HG21 ' A' ' 26' ' ' VAL . 25.6 mt -62.25 -32.49 73.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.535 . . . . 0.0 111.19 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -21.97 61.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -67.52 -28.61 67.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -103.14 16.0 27.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.313 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 60.8 29.68 19.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.706 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -76.2 125.13 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -113.1 -161.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.683 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -82.21 156.59 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.19 24.56 14.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -84.0 145.69 28.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.7 m -107.45 107.78 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 0.0 111.429 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.43 148.55 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.852 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -104.85 125.97 51.43 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.67 114.0 27.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.512 . . . . 0.0 111.668 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -108.04 145.46 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.003 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' H ' HD11 ' A' ' 8' ' ' LEU . 60.8 mt -99.0 169.28 9.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.009 0.433 . . . . 0.0 111.129 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -102.52 93.73 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.309 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 tp -78.23 127.44 32.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.66 101.5 10.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.956 0.408 . . . . 0.0 110.41 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.72 -159.02 11.47 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.846 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.73 -1.039 . . . . 0.0 111.703 -179.767 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.41 HD21 HD22 ' B' ' 71' ' ' LEU . 17.2 tp -84.17 87.35 7.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 40.4 m -71.73 98.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.47 139.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.808 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -140.35 146.53 38.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -120.16 131.05 54.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.358 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.95 -4.99 38.95 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.93 -45.59 88.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.03 10.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.47 41.1 4.89 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.661 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.63 131.16 52.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.468 . . . . 0.0 111.061 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 44' ' ' ILE . 39.8 mm -106.54 120.67 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.304 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -84.4 161.71 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.768 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.47 -176.4 50.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.623 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.19 116.2 3.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.196 2.597 . . . . 0.0 112.943 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.5 104.94 17.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.459 0.647 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -80.62 118.66 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.75 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.23 174.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.902 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -129.83 151.41 50.43 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.01 -15.17 61.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.046 0.451 . . . . 0.0 109.871 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.37 7.33 45.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.919 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.65 130.77 38.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 139.18 58.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.18 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.497 ' O ' HG12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -66.29 -28.51 68.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -32.95 73.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.39 -38.22 89.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.3 OUTLIER -64.74 -44.58 89.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.141 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 ' O ' ' B' ' 25' ' ' LEU . 49.7 mm -60.4 -38.26 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.875 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.67 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.87 -36.3 83.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.193 0.52 . . . . 0.0 110.218 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.85 -38.95 90.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 45.8 mt-30 -72.68 -22.27 60.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.38 -59.31 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.342 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.46 -61.88 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' B' ' 73' ' ' ILE . 48.1 t -71.03 -36.8 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.483 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.91 32.38 6.85 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.346 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 45' ' ' LEU . 61.0 t80 -71.6 165.66 23.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.566 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -164.94 149.94 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.98 -1.38 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -83.05 -40.89 19.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.98 30.2 2.25 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.746 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 77.5 m80 -134.95 163.44 29.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -125.35 132.73 52.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.442 ' HB2' ' CZ ' ' B' ' 38' ' ' PHE . 19.1 tp -101.46 110.32 22.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.484 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -96.76 133.22 41.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -127.27 110.88 13.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.126 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 64.3 -78.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.166 0.587 . . . . 0.0 110.824 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.489 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 23.4 ptm -149.4 13.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.463 . . . . 0.0 110.076 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -125.58 -175.76 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.837 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.32 143.62 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.52 79.3 7.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.278 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.15 158.51 35.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.939 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.6 -25.47 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.347 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -67.29 -21.7 65.68 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.022 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -86.29 88.32 7.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -96.8 24.99 5.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.258 0.551 . . . . 0.0 110.521 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -82.42 149.15 27.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.419 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.535 ' HB2' ' HD3' ' B' ' 61' ' ' LYS . 0.7 OUTLIER -80.91 174.04 12.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -52.97 -47.8 67.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' B' ' 59' ' ' SER . 0.0 OUTLIER -69.98 -15.26 63.01 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.92 -10.33 34.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -91.99 -4.46 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.642 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 29.79 42.33 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.956 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.14 157.71 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -161.03 -93.72 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.54 7.28 2.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.84 9.18 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.278 0.561 . . . . 0.0 110.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.06 26.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.921 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.47 148.93 26.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.584 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.41 HD22 HD21 ' B' ' 3' ' ' LEU . 4.7 tp -128.39 130.74 48.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.67 130.19 56.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 0.0 111.336 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.609 HG13 ' SG ' ' B' ' 36' ' ' CYS . 41.1 mm -95.98 111.66 26.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.345 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -129.57 -165.24 1.5 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.992 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.41 -136.02 13.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.704 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 67.68 -117.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.125 0.57 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.55 -58.35 2.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 111.283 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.85 78.05 9.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.432 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -175.42 -68.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.147 0.498 . . . . 0.0 111.23 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.71 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -116.1 137.01 52.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.624 0.25 . . . . 0.0 110.663 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -123.77 159.19 29.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -117.68 114.53 23.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.119 0.485 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -104.39 119.42 53.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.877 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 68' ' ' ASP . 76.2 tttt -102.58 124.15 47.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.489 HG22 HD23 ' A' ' 69' ' ' LEU . 34.7 p -86.4 172.43 10.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.44 -15.96 63.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.57 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.68 0.16 48.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.17 8.95 84.73 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.59 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -89.05 135.85 33.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.755 -0.262 . . . . 0.0 110.385 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' 3X9 . . . . . 0.679 ' CAB' ' CAD' ' A' ' 12' ' ' 3X9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 tp -95.11 140.94 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.904 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -97.76 134.97 40.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD11 HG12 ' A' ' 30' ' ' ILE . 43.5 mt -131.33 134.16 46.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.912 0.387 . . . . 0.0 111.744 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -87.18 108.09 18.76 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -133.5 175.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.3 mm-40 -137.4 160.23 66.28 Favored Pre-proline 0 C--N 1.316 -0.871 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.23 -33.7 56.0 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.676 2.25 . . . . 0.0 113.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.88 -10.06 59.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -65.39 126.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.238 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -78.92 152.47 31.1 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.53 -39.0 51.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 0.0 110.719 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -64.22 -37.95 89.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.152 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -65.42 -37.9 88.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 t -64.09 -42.17 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 44.5 mtmt -63.34 -34.09 76.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.452 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -30.5 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.125 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -75.41 -39.32 59.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.816 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 15' ' ' LEU . 55.6 mt -68.18 -39.0 80.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.33 0.586 . . . . 0.0 109.816 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.6 -25.21 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.057 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.3 -46.56 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.957 0.408 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -76.53 -49.13 17.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -85.55 -36.18 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.89 13.31 59.39 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.287 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.5 mt -89.36 127.47 54.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.59 133.45 56.88 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.422 2.081 . . . . 0.0 112.305 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -58.8 -25.66 77.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.944 2.43 . . . . 0.0 113.135 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -4.72 52.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.679 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -114.84 10.17 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.052 0.453 . . . . 0.0 109.882 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 79.6 mt-30 -102.09 117.76 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.621 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -111.41 95.75 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.81 128.68 34.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.766 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 mt -123.15 129.93 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.953 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' A' ' 50' ' ' LEU . 41.8 t80 -124.19 113.47 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 42.7 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.335 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.501 ' CA ' ' HG3' ' B' ' 16' ' ' PRO . . . 76.82 6.07 84.86 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 114.082 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 139.28 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.387 0.593 . . . . 0.0 110.76 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.09 141.09 32.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.116 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.7 mt -100.15 133.81 44.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.458 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 31.7 mt-10 -80.85 151.28 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.831 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -44.01 94.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.36 45.4 2.6 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.968 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -130.02 161.73 30.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.029 0.414 . . . . 0.0 110.08 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -105.16 164.88 11.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.614 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 18' ' ' GLU . 71.4 mt -65.65 -31.51 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.483 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -67.88 -27.32 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' THR . 10.8 m-20 -59.95 -46.06 90.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -91.47 8.71 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.977 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.7 36.4 19.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.186 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.57 116.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.287 0.565 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -101.63 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -75.92 150.74 37.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 63.85 22.83 13.18 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.868 0.73 . . . . 0.0 111.977 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -76.13 139.83 41.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -97.46 117.11 30.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.597 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.53 148.0 30.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -103.76 118.68 37.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.236 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 7' ' ' THR . 58.3 tp -103.77 109.1 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.103 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.05 147.99 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.9 mt -97.63 178.23 5.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.05 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.99 104.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.12 123.38 16.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -118.71 12.58 13.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.396 0.617 . . . . 0.0 110.136 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.37 50.04 0.81 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.315 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.046 0 CA-C-O 118.733 -1.037 . . . . 0.0 111.466 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 121.218 0.532 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 tp -78.86 106.69 11.06 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.78 127.72 45.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.06 0.457 . . . . 0.0 111.62 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.58 130.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -118.52 126.08 51.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.121 0.486 . . . . 0.0 111.761 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.12 76.71 1.48 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.72 -6.08 7.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.676 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' B' ' 74' ' ' ARG . 61.0 mt -81.22 -24.77 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.61 -14.64 5.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.734 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.92 17.03 57.15 Favored Glycine 0 CA--C 1.508 -0.378 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.06 103.93 13.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 111.292 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.3 113.43 30.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.407 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -87.55 176.92 7.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.08 -168.67 39.23 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HG3' ' CA ' ' A' ' 47' ' ' GLY . 91.8 Cg_endo -88.15 121.01 1.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.929 2.419 . . . . 0.0 113.059 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.93 139.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -99.87 87.37 3.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.126 0.489 . . . . 0.0 109.82 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.45 -172.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t -151.16 157.97 43.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.4 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 61' ' ' LYS . 16.6 pt-20 -71.36 -18.19 62.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 109.954 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.34 -9.6 49.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.293 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 22.3 ttt -81.1 132.25 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.822 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.31 140.36 55.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -65.7 -35.03 79.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.693 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -64.16 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.27 -41.31 81.26 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.976 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 25' ' ' LEU . 50.0 mm -62.43 -38.7 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.922 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.32 86.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.1 mt -62.91 -38.62 91.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.015 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' B' ' 36' ' ' CYS . 1.1 tp -66.96 -37.33 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 29' ' ' ILE . 42.9 mt-30 -71.76 -27.82 63.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.817 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.98 -55.97 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.46 -63.17 1.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.67 ' SG ' HG13 ' B' ' 73' ' ' ILE . 47.6 t -63.31 -32.08 73.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.91 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.25 29.44 11.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.158 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.85 160.79 30.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.983 0.42 . . . . 0.0 110.548 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 21.4 t70 -157.21 146.36 20.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -90.37 -3.96 57.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -17.02 13.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -136.92 21.32 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 39' ' ' ASP . 3.4 m80 -150.54 141.48 22.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.99 0.424 . . . . 0.0 110.29 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.62 136.76 45.85 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.858 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.62 120.32 41.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.016 0.436 . . . . 0.0 110.162 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . 12.1 m-85 -105.51 124.05 48.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -107.75 108.75 20.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.375 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 64.69 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.757 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 60.3 mtm -131.59 -1.9 3.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.903 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.73 -174.24 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.44 153.01 16.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.2 OUTLIER -84.13 88.0 7.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.118 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -76.86 160.79 28.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -24.1 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -76.9 -10.22 59.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 0.0 110.552 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -89.3 68.01 7.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.941 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -86.77 9.31 19.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.471 0.653 . . . . 0.0 109.772 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.466 ' HB3' ' HB2' ' B' ' 62' ' ' GLU . 8.5 mt-30 -69.41 137.75 53.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.89 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.437 ' HA ' HD22 ' B' ' 25' ' ' LEU . 0.7 OUTLIER -76.43 177.43 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.44 -38.67 69.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 22.4 pttm -72.44 -23.59 61.09 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.697 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' B' ' 58' ' ' GLN . 0.5 OUTLIER -88.7 -39.89 13.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.293 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.54 -41.0 96.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.96 32.61 2.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.054 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.11 114.88 22.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -78.43 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.812 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 95.5 m -150.11 -39.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 7.3 p-10 -80.44 3.65 20.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.136 0.493 . . . . 0.0 111.282 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -78.71 160.82 27.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.897 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.19 159.08 44.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.734 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.61 128.12 42.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' B' ' 46' ' ' TYR . 4.9 mp -108.55 139.19 43.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.67 HG13 ' SG ' ' B' ' 36' ' ' CYS . 19.5 mm -106.87 117.77 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.404 ' HA ' HD11 ' B' ' 9' ' ' LEU . 42.0 mtp85 -135.46 -161.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.478 ' HA2' ' OG ' ' B' ' 80' ' ' SER . . . 99.21 -137.44 13.26 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.043 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 17.3 mmmt 72.13 -103.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.513 0.725 . . . . 0.0 111.117 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt -127.66 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.151 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.62 69.24 8.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.85 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -170.07 -71.8 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.238 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . 0.478 ' OG ' ' HA2' ' B' ' 75' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.815 -178.787 . . . . . . . . 2 2 . 1 stop_ save_