data_1l1m_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 1l1m _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 N--CA 1.458 -0.61 0 CA-C-O 121.245 0.435 . . . . 1.67 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 58.8 t -68.82 132.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.476 -0.783 . . . . 1.27 109.539 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 169.61 8.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.79 -0.641 . . . . 1.07 110.122 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.955 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.85 0.357 . . . . 1.11 111.047 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -76.77 -35.59 57.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.532 -0.544 . . . . 1.04 109.532 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB2' HG11 ' A' ' 4' ' ' VAL . 14.2 m-20 -69.31 -37.58 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 1.75 109.766 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.64 -43.58 70.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.776 . . . . 1.07 109.871 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.88 75.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.285 -0.87 . . . . 1.08 110.575 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -34.8 69.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.634 -0.712 . . . . 2.21 110.885 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 23.9 t80 -77.62 -39.28 45.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 2.38 111.35 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.657 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . . . -84.54 -13.8 50.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.869 0.366 . . . . 1.05 111.402 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.76 36.44 53.14 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.703 -0.76 . . . . 0.52 111.329 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG22 ' HB1' ' A' ' 13' ' ' ALA . 21.8 m -123.56 -166.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.535 . . . . 1.12 110.111 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -100.18 155.85 17.52 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.712 -0.477 . . . . 1.37 109.712 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.955 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 49.7 p90 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 2.19 109.808 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.0 tp60 -68.0 -38.31 82.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.554 -0.748 . . . . 1.64 109.021 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' VAL . 90.3 m -63.37 -45.61 90.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 1.14 109.49 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.7 t -58.14 -49.92 79.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 1.02 110.506 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -35.68 76.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 0.88 110.946 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.909 ' HB3' HG21 ' A' ' 30' ' ' VAL . 77.5 mtt-85 -68.83 -30.73 69.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.403 -0.362 . . . . 2.6 110.378 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 19' ' ' THR . 85.5 t -76.86 -41.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 1.18 109.889 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 20' ' ' VAL . 55.6 t -64.95 -41.7 92.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.818 -0.628 . . . . 1.08 110.309 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -74.91 -40.88 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.517 -0.765 . . . . 1.72 111.853 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 23.6 mm-40 62.49 64.59 0.92 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.598 -0.519 . . . . 5.44 109.598 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.75 -84.22 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.315 0.487 . . . . 2.79 112.315 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.3 168.02 20.73 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.283 -0.26 . . . . 1.87 110.934 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.651 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 5.3 m170 65.27 25.99 12.21 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.396 0.678 . . . . 0.77 112.103 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG21 ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -120.56 129.23 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 1.66 111.385 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.5 p -98.56 152.87 19.11 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 1.3 108.938 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.96 71.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.947 0.403 . . . . 1.73 110.685 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -57.4 -52.42 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.709 -0.678 . . . . 3.81 111.248 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 p -77.21 -32.15 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 1.21 112.153 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 16.1 ttt180 -58.33 -49.76 76.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.113 0.482 . . . . 3.82 111.016 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -70.06 -20.81 63.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 1.45 111.664 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.657 ' HG2' ' HB3' ' A' ' 13' ' ' ALA . 23.8 ttpt -82.11 -35.33 28.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.269 0.557 . . . . 1.59 110.202 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 20' ' ' VAL . 96.6 t -75.53 -42.25 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.521 -0.763 . . . . 1.07 110.672 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 38.1 mt-10 -64.75 -27.47 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.231 0.538 . . . . 1.59 110.358 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.17 28.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.545 -0.752 . . . . 1.17 110.413 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . . . -69.66 -39.72 76.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.233 -0.439 . . . . 1.08 111.246 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.875 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 16.7 ptp -71.25 -8.42 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.725 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.44 -25.0 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.41 0.624 . . . . 1.23 109.979 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -75.75 -52.36 10.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.197 -0.911 . . . . 1.36 110.687 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -83.79 -8.49 59.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.068 -0.969 . . . . 2.46 112.052 -178.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 63.63 64.98 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.563 0.697 . . . . 2.45 109.689 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.875 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 14.1 t80 -77.13 133.37 39.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.944 -1.025 . . . . 2.01 111.346 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.49 109.48 48.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.253 -0.885 . . . . 1.83 110.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.85 123.27 12.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.788 2.325 . . . . 0.65 111.449 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -85.63 109.63 18.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.856 0.36 . . . . 0.54 111.005 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.35 -26.08 55.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.483 . . . . 5.89 110.418 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.6 OUTLIER -70.77 -40.5 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.332 0.587 . . . . 0.83 109.744 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.48 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.304 -0.862 . . . . 1.18 109.497 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -67.76 -42.91 81.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.422 -0.808 . . . . 1.41 109.596 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.34 -36.6 84.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 2.53 110.127 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -72.75 -50.69 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.615 . . . . 1.27 110.843 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -34.5 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.631 -0.713 . . . . 1.24 111.132 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.823 0 C-N-CA 120.76 -0.734 . . . . 1.14 111.858 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.702 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 95.4 t . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.11 -0.7 . . . . 1.33 109.11 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 18.2 p -88.59 167.79 13.1 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.47 -0.332 . . . . 1.12 110.525 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.505 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -76.95 -8.49 57.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.3 -1.37 . . . . 1.37 107.3 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.501 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 28.8 m-85 -78.38 -38.96 40.56 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.726 -1.579 . . . . 2.18 109.402 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.37 -41.61 96.61 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.527 -0.761 . . . . 1.31 110.018 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' B' ' 41' ' ' ALA . 69.9 t -60.38 -44.92 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.121 -0.945 . . . . 1.05 110.689 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -65.0 -46.83 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 1.07 111.036 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.05 -42.09 84.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.468 -0.787 . . . . 2.34 111.623 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.489 ' CB ' HD23 ' B' ' 45' ' ' LEU . 64.1 t80 -72.22 -41.04 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.119 0.485 . . . . 2.46 110.623 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.45 -23.63 65.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 1.18 111.543 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.4 22.41 51.29 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.61 112.014 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.432 HG11 HG23 ' B' ' 34' ' ' THR . 29.2 m -121.38 172.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.801 0.334 . . . . 1.11 110.207 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.49 152.72 41.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.781 -0.822 . . . . 0.78 108.781 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.52 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.02 -22.49 66.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 2.39 110.767 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -74.11 -26.84 60.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 1.4 109.988 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.67 -28.81 70.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.865 -0.607 . . . . 1.15 109.39 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 t -73.86 -49.11 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.458 -0.942 . . . . 1.1 108.458 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.7 t -48.86 -37.32 19.2 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 121.173 0.511 . . . . 1.34 109.994 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.432 ' HB3' ' CG2' ' B' ' 30' ' ' VAL . 35.7 mmt180 -62.37 -61.56 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.767 . . . . 3.18 110.494 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.691 HG21 HG12 ' B' ' 30' ' ' VAL . 61.5 t -56.62 -36.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.45 . . . . 1.18 111.449 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.48 -33.65 45.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.859 -0.609 . . . . 1.35 112.033 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 C--N 1.332 -0.184 0 N-CA-C 113.243 0.831 . . . . 1.68 113.243 -178.183 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 121.072 0.463 . . . . 1.63 110.268 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.691 HG12 HG21 ' B' ' 23' ' ' VAL . 47.4 t -126.48 105.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.762 -0.458 . . . . 1.84 109.762 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.08 154.85 41.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.567 -0.742 . . . . 1.42 110.311 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.31 73.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.421 -0.354 . . . . 1.59 110.44 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.596 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 14.4 tppt? -53.24 -56.66 14.73 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.179 -0.464 . . . . 3.76 111.207 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.432 HG23 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.22 -39.32 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.345 . . . . 1.34 111.571 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.524 ' HG3' HG11 ' B' ' 23' ' ' VAL . 29.6 ttm180 -59.28 -47.19 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 3.81 111.082 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.51 -40.46 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 2.09 111.424 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 74.2 mttt -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.471 -0.331 . . . . 2.16 111.199 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 34' ' ' THR . 88.2 t -65.74 -43.43 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 1.14 110.422 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.23 -41.33 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 1.79 111.081 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.54 -36.82 76.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 1.38 110.951 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.516 ' HB3' HG13 ' B' ' 9' ' ' VAL . . . -62.49 -30.45 71.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 1.14 111.207 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.408 ' HE2' HG11 ' B' ' 38' ' ' VAL . 66.2 mtt -61.22 -26.1 67.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 1.14 110.875 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.44 -30.93 14.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.932 0.396 . . . . 1.26 110.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.84 -52.34 63.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.164 0.507 . . . . 1.55 110.852 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.503 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -84.35 -15.44 46.43 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.791 -0.64 . . . . 1.58 110.964 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.469 ' O ' HG13 ' B' ' 48' ' ' ILE . 1.4 t30 67.4 58.17 0.54 Allowed 'General case' 0 N--CA 1.46 0.044 0 N-CA-C 107.48 -1.304 . . . . 1.87 107.48 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.568 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -50.82 113.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.076 -1.42 . . . . 2.23 113.566 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.702 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 61.4 mt -123.2 94.39 47.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 114.524 -1.216 . . . . 1.97 107.875 176.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -38.67 138.81 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 124.256 3.304 . . . . 0.95 114.976 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.444 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.3 m120 -62.59 97.13 0.09 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.281 -0.872 . . . . 1.64 109.216 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 51' ' ' ARG . 52.0 mtm-85 -55.25 -32.93 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.117 0.414 . . . . 5.46 112.117 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 35.0 m -81.74 -56.8 3.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.925 0.342 . . . . 0.92 111.925 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.88 88.15 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.434 0.902 . . . . 1.22 113.434 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 12.9 mt-30 -71.18 -46.94 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.055 -0.258 . . . . 1.49 111.362 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -57.75 -37.06 72.95 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.681 0.753 . . . . 3.16 108.992 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.11 -66.65 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.318 -1.31 . . . . 1.2 111.13 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 O-C-N 124.172 0.92 . . . . 1.12 113.081 -178.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.023 0.343 . . . . 1.67 112.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.969 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.3 t -85.07 137.89 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.857 -0.611 . . . . 1.27 109.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.24 168.7 8.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.882 -0.599 . . . . 1.07 110.32 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.82 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -63.15 -16.65 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 1.11 111.233 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 73.6 m-85 -75.94 -38.7 57.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.04 110.301 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.75 78.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.75 110.183 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.32 -41.64 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.686 -0.688 . . . . 1.07 109.59 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.27 96.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 1.08 111.073 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.6 mm-40 -66.18 -30.73 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 2.21 111.423 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 31.4 t80 -80.98 -35.11 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.692 0.282 . . . . 2.38 111.191 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -86.09 -11.42 52.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 1.05 111.443 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 38.82 53.52 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.979 -0.848 . . . . 0.52 110.979 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 13' ' ' ALA . 31.0 m -132.61 -169.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.481 . . . . 1.12 110.178 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -98.1 154.76 17.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.851 -0.613 . . . . 1.37 109.64 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.82 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 40.9 p90 -58.34 -32.49 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 2.19 110.504 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.701 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -67.3 -36.31 81.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.86 -0.609 . . . . 1.64 110.075 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -61.7 -43.77 98.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.094 -0.706 . . . . 1.14 109.094 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.2 t -60.32 -45.98 95.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.702 -1.135 . . . . 1.02 109.957 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -58.78 -36.06 73.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.88 110.984 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.745 ' HB3' HG21 ' A' ' 30' ' ' VAL . 33.3 mmt180 -63.09 -38.12 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.109 0.481 . . . . 2.6 109.737 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG23 ' HA ' ' A' ' 35' ' ' ARG . 59.9 t -75.56 -42.75 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.427 -0.806 . . . . 1.18 111.049 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.8 t -64.04 -43.79 97.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.923 -0.581 . . . . 1.08 110.392 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -31.11 64.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 1.72 111.407 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.45 35.11 14.98 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.494 0.664 . . . . 5.44 109.907 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.15 -137.15 0.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.12 -0.945 . . . . 2.79 111.102 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 m -92.28 170.79 9.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.443 -0.344 . . . . 1.87 110.967 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 m170 64.99 32.8 10.24 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.544 0.738 . . . . 0.77 112.016 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.745 HG21 ' HB3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -123.61 116.67 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.185 0.517 . . . . 1.66 111.84 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.7 p -90.43 152.35 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.763 -0.653 . . . . 1.3 109.337 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.86 -34.54 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 1.73 110.55 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.94 -52.77 47.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.779 -0.646 . . . . 3.81 111.276 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.748 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -81.88 -30.92 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 1.21 111.835 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HA ' HG23 ' A' ' 23' ' ' VAL . 31.0 ttm180 -57.53 -38.71 75.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 3.82 111.094 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.5 mt-10 -79.05 -28.76 43.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.677 0.621 . . . . 1.45 112.677 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.2 ptpt -82.42 -31.27 29.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.187 -0.605 . . . . 1.59 110.823 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 20' ' ' VAL . 97.9 t -75.88 -39.51 37.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.21 -0.45 . . . . 1.07 110.329 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.49 -30.75 71.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.253 0.549 . . . . 1.59 109.963 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.1 -41.73 27.96 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.545 -0.752 . . . . 1.17 110.682 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.87 92.04 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.98 0.419 . . . . 1.08 111.555 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.641 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 21.0 ptp -71.65 -8.64 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.11 111.26 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.03 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 1.23 109.984 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 mm-40 -72.65 -56.62 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.36 110.805 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -80.03 -9.68 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.824 -1.08 . . . . 2.46 112.273 -178.094 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 68.34 63.02 0.36 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.713 0.768 . . . . 2.45 109.173 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.969 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.4 t80 -66.79 138.53 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.743 -1.117 . . . . 2.01 111.714 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mm -112.3 105.87 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.525 -0.761 . . . . 1.83 110.916 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 108.06 2.02 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.693 2.262 . . . . 0.65 111.338 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.8 101.91 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 0.54 111.433 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.3 mmt180 -71.09 -23.86 62.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 5.89 110.421 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.668 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -73.77 -39.42 64.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.83 109.51 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.22 -32.02 71.94 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.655 -0.702 . . . . 1.18 109.491 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.26 -37.41 87.12 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.155 -0.93 . . . . 1.41 110.002 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 85.4 mm-40 -67.63 -37.73 82.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.748 -0.66 . . . . 2.53 110.536 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.37 -53.38 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.21 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.18 76.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.652 -0.704 . . . . 1.24 112.351 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 1.14 113.056 -179.634 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.716 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.8 t . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 109.975 -0.38 . . . . 1.33 109.975 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.432 ' O ' HG21 ' B' ' 9' ' ' VAL . 20.1 p -87.68 172.3 9.8 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.362 -0.381 . . . . 1.12 110.157 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.596 HD22 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -76.21 -12.23 60.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.822 -1.177 . . . . 1.37 107.822 179.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.431 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 19.6 m-85 -76.24 -44.44 37.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.335 -1.302 . . . . 2.18 109.054 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.462 ' HB2' HG11 ' B' ' 4' ' ' VAL . 32.1 m-20 -64.14 -41.29 97.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.618 -0.719 . . . . 1.31 110.347 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.432 HG21 ' O ' ' B' ' 5' ' ' THR . 64.9 t -58.72 -41.23 81.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.98 -0.554 . . . . 1.05 110.721 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.634 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.58 -52.93 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.556 -0.747 . . . . 1.07 111.728 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.6 mt-10 -60.44 -37.51 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.34 111.233 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.429 ' CD1' HD23 ' B' ' 45' ' ' LEU . 87.4 t80 -64.08 -38.85 92.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 2.46 110.718 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.744 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -76.96 -26.53 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.017 -0.538 . . . . 1.18 111.234 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 -1.66 52.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.082 -0.58 . . . . 0.61 112.221 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.412 HG11 HG21 ' B' ' 34' ' ' THR . 30.7 m -95.34 178.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 122.277 0.231 . . . . 1.11 110.738 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -81.05 154.36 26.89 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.428 -0.952 . . . . 0.78 108.428 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.634 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.05 -18.7 63.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.867 0.365 . . . . 2.39 111.01 -179.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.16 -17.37 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 1.4 110.611 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -65.85 -29.87 70.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.102 -1.074 . . . . 1.15 108.102 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.409 HG11 ' CG1' ' B' ' 38' ' ' VAL . 5.1 t -72.85 -50.75 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.891 -1.05 . . . . 1.1 108.793 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -47.12 -36.99 9.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.925 -0.58 . . . . 1.34 111.249 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -56.67 -60.69 3.18 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.505 -0.771 . . . . 3.18 111.229 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.45 -36.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.242 -0.435 . . . . 1.18 111.787 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.74 -38.15 77.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.888 -0.596 . . . . 1.35 112.255 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.513 . . . . 1.68 111.397 -179.31 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.7 m170 . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 121.222 0.534 . . . . 1.63 109.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.27 136.52 56.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 1.84 109.089 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 41.26 0.95 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.552 -0.295 . . . . 1.42 111.56 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 67.84 -61.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.579 0.751 . . . . 1.59 111.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -59.17 -36.64 75.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 3.76 110.837 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.49 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -64.64 -45.11 88.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.334 179.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -62.63 -46.55 87.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.965 -0.562 . . . . 3.81 110.536 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.12 -38.59 91.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.62 -0.718 . . . . 2.09 110.893 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.744 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.6 ttpt -66.55 -38.68 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 2.16 111.287 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 34' ' ' THR . 95.2 t -70.8 -49.69 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 1.14 110.632 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.24 -38.99 85.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.769 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.02 -40.13 83.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.38 110.358 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.71 68.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.18 0.514 . . . . 1.14 110.808 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtt -64.0 -21.72 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.452 -0.794 . . . . 1.14 110.484 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.48 -33.17 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 1.26 111.213 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.4 mm-40 -62.07 -44.65 96.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.263 -0.426 . . . . 1.55 111.132 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -99.28 -9.57 23.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 1.58 111.827 -179.197 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t30 67.36 65.73 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.789 -0.819 . . . . 1.87 108.789 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.716 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.8 t80 -56.62 119.99 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.755 -1.111 . . . . 2.23 112.352 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 48' ' ' ILE . 35.1 mm -124.89 96.01 41.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 107.971 -1.122 . . . . 1.97 107.971 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.01 134.75 10.86 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.244 2.63 . . . . 0.95 113.326 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -58.17 95.73 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.726 -0.67 . . . . 1.64 109.907 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -51.23 -32.51 24.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.002 0.741 . . . . 5.46 113.002 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.668 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.9 m -81.63 -54.41 5.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.946 0.351 . . . . 0.92 111.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.02 67.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.182 0.808 . . . . 1.22 113.182 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.563 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 6.9 mm-40 -68.0 -54.47 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.417 0.155 . . . . 1.49 111.417 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -58.65 -32.0 68.68 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.083 0.468 . . . . 3.16 110.307 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 10.8 tp -67.24 -65.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.811 -1.086 . . . . 1.2 110.46 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 124.305 1.003 . . . . 1.12 112.575 -178.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.275 . . . . 1.67 111.647 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.891 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 98.5 t -71.75 142.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 1.27 110.168 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -106.69 165.14 11.52 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.674 -0.694 . . . . 1.07 110.003 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.964 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.1 pt? -67.02 -12.92 61.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.774 0.321 . . . . 1.11 110.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -77.49 -37.67 50.7 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.064 -0.517 . . . . 1.04 109.659 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.88 -39.15 83.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.725 -0.67 . . . . 1.75 109.691 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.18 -44.12 81.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.403 -0.817 . . . . 1.07 110.052 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.8 92.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.482 -0.781 . . . . 1.08 110.9 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.26 -32.22 69.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 2.21 111.124 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.66 -35.12 39.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 2.38 111.377 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -87.15 -11.84 48.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.963 0.411 . . . . 1.05 111.068 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.31 31.95 53.27 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 111.398 -0.681 . . . . 0.52 111.398 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' A' ' 13' ' ' ALA . 31.4 m -124.12 -166.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.373 . . . . 1.12 110.279 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 p -104.52 155.15 19.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.327 -0.619 . . . . 1.37 109.327 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.964 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.6 p90 -61.04 -30.19 70.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.977 0.418 . . . . 2.19 110.291 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.4 -36.76 79.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.129 -0.693 . . . . 1.64 109.129 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' HG21 ' A' ' 23' ' ' VAL . 86.3 m -64.01 -40.9 97.37 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.148 -0.686 . . . . 1.14 109.148 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.516 ' O ' HG21 ' A' ' 24' ' ' VAL . 63.2 t -59.64 -48.77 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.219 -0.901 . . . . 1.02 109.427 177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -61.96 -35.37 78.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.914 -0.584 . . . . 0.88 110.146 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.783 ' HG3' HG21 ' A' ' 30' ' ' VAL . 9.0 tpp180 -62.9 -35.94 81.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 2.6 110.069 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.618 HG11 ' HG3' ' A' ' 35' ' ' ARG . 99.0 t -80.79 -46.18 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.593 -0.73 . . . . 1.18 111.089 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 20' ' ' VAL . 59.8 t -63.27 -42.51 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.998 -0.547 . . . . 1.08 111.34 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -23.61 54.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.929 0.395 . . . . 1.72 111.065 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 59.55 46.5 12.0 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.42 -0.809 . . . . 5.44 110.28 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.14 -141.58 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.79 111.099 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.56 176.32 6.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.846 -0.427 . . . . 1.87 109.846 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.81 33.29 21.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.39 0.515 . . . . 0.77 112.39 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.783 HG21 ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -118.45 122.99 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.506 -0.478 . . . . 1.66 111.257 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.0 p -101.64 151.93 21.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.743 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.21 77.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.935 0.346 . . . . 1.73 111.935 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -53.83 -49.02 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.176 -0.465 . . . . 3.81 111.29 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.591 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -79.06 -36.18 41.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.969 -0.559 . . . . 1.21 111.64 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.618 ' HG3' HG11 ' A' ' 23' ' ' VAL . 28.3 ttt180 -55.04 -49.18 72.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 3.82 111.87 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.7 -30.25 66.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.06 0.763 . . . . 1.45 113.06 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.591 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.6 ptpt -79.42 -27.71 41.73 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.229 -0.588 . . . . 1.59 110.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 34' ' ' THR . 97.0 t -80.57 -41.34 20.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.228 -0.442 . . . . 1.07 110.082 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.98 -26.79 68.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 1.59 110.041 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -41.84 18.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.591 -0.731 . . . . 1.17 110.826 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.24 86.9 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 1.08 111.21 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.786 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 23.3 ptp -72.49 -9.25 58.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 1.11 110.564 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.53 -20.46 20.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 1.23 109.941 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -76.13 -56.3 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.325 -0.852 . . . . 1.36 110.764 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.25 -11.19 59.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.677 -1.147 . . . . 2.46 111.066 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 66.65 64.83 0.48 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.494 -0.775 . . . . 2.45 109.365 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.891 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 14.6 t80 -76.17 129.44 36.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.798 -1.092 . . . . 2.01 111.145 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.64 110.4 49.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 1.83 109.952 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.49 114.93 2.16 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.65 111.547 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -75.1 103.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.895 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.7 -22.96 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 5.89 110.878 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.776 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -71.89 -40.41 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.43 -0.582 . . . . 0.83 109.43 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.19 64.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 1.18 109.83 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.89 -37.27 84.09 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.692 -0.685 . . . . 1.41 109.826 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -72.03 -24.16 61.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.244 0.545 . . . . 2.53 110.171 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 tp -81.05 -54.61 5.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 1.27 110.062 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.89 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.508 -0.769 . . . . 1.24 111.13 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.839 -0.696 . . . . 1.14 112.431 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.63 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 66.4 t . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.932 0.396 . . . . 1.33 110.045 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.433 HG21 ' ND2' ' B' ' 50' ' ' ASN . 17.6 p -96.08 166.57 11.69 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.005 -0.543 . . . . 1.12 110.299 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.525 HD13 HG22 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -77.68 -10.91 59.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.632 -1.247 . . . . 1.37 107.632 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.403 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 25.9 m-85 -76.0 -40.8 52.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 113.535 -1.666 . . . . 2.18 109.748 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -60.72 -38.45 85.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.684 -0.689 . . . . 1.31 110.33 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.656 ' HA ' HD21 ' B' ' 45' ' ' LEU . 45.5 t -63.83 -39.2 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.254 -0.884 . . . . 1.05 110.967 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.601 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -72.59 -48.84 36.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 1.07 111.744 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.9 -31.33 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.694 -0.685 . . . . 2.34 111.965 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.431 ' CB ' HD23 ' B' ' 45' ' ' LEU . 83.2 t80 -79.37 -38.77 34.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.345 -0.388 . . . . 2.46 111.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.58 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -74.44 -21.99 59.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.18 111.893 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.36 38.15 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.974 -0.632 . . . . 0.61 112.597 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.462 HG11 HG23 ' B' ' 34' ' ' THR . 21.1 m -119.14 179.15 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.953 -0.388 . . . . 1.11 109.953 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -75.72 156.62 34.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.589 -0.893 . . . . 0.78 108.589 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.601 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.68 -22.14 66.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.461 0.648 . . . . 2.39 109.364 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -76.06 -23.87 55.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.608 -0.724 . . . . 1.4 110.646 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.8 m -62.41 -36.87 83.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.006 -0.739 . . . . 1.15 109.006 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.455 HG21 HG11 ' B' ' 38' ' ' VAL . 62.1 t -75.37 -39.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.947 -1.024 . . . . 1.1 108.863 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.555 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 1.9 t -57.37 -34.17 68.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.416 -0.811 . . . . 1.34 110.462 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 22.4 mmt180 -64.44 -48.07 76.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.679 -0.691 . . . . 3.18 111.074 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 t -67.16 -38.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 1.18 110.104 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.525 HG22 HD13 ' B' ' 6' ' ' LEU . 20.7 t -65.62 -37.58 80.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.35 111.142 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 1.68 110.961 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.777 0.322 . . . . 1.63 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -135.21 123.49 39.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.398 -0.593 . . . . 1.84 109.398 178.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 171.94 12.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.279 -0.419 . . . . 1.42 111.067 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.11 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.065 0.394 . . . . 1.59 112.065 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -66.46 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.379 0.511 . . . . 3.76 112.379 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.463 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.7 OUTLIER -95.88 -44.9 7.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.91 0.708 . . . . 1.34 112.91 -178.117 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.498 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 75.9 ttt180 -57.03 -53.39 58.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.764 0.316 . . . . 3.81 111.378 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.75 -28.25 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.386 -0.37 . . . . 2.09 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.58 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 22.1 ttmm -69.72 -42.4 74.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.378 -0.374 . . . . 2.16 110.149 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.535 HG12 ' HE1' ' B' ' 42' ' ' MET . 77.6 t -63.74 -49.44 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 1.14 110.28 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 38.7 mt-10 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 1.79 110.86 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.74 63.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 1.38 110.713 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.495 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -62.67 -28.77 70.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.535 . . . . 1.14 111.187 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.535 ' HE1' HG12 ' B' ' 38' ' ' VAL . 65.8 mtt -59.39 -26.71 65.34 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.222 -0.445 . . . . 1.14 110.621 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.06 -38.71 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.515 . . . . 1.26 110.832 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.67 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.729 -0.669 . . . . 1.55 110.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' B' ' 9' ' ' VAL . 0.3 OUTLIER -86.08 -10.81 54.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.305 -0.407 . . . . 1.58 111.748 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 62.03 51.48 3.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.146 -1.427 . . . . 1.87 107.146 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -59.27 108.77 0.74 Allowed 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 114.023 -1.444 . . . . 2.23 113.245 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.474 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 44.1 mm -120.32 94.14 48.56 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 106.513 -1.662 . . . . 1.97 106.513 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.44 119.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 124.633 3.555 . . . . 0.95 114.195 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.433 ' ND2' HG21 ' B' ' 5' ' ' THR . 3.4 p-10 -67.19 88.34 0.17 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.403 -0.817 . . . . 1.64 110.339 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -51.41 -31.02 21.25 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.614 -1.175 . . . . 5.46 112.697 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.776 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.9 m -54.82 -49.91 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.836 0.351 . . . . 0.92 111.524 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.42 -24.09 18.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 1.22 111.453 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.01 -40.07 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.555 -0.293 . . . . 1.49 110.855 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.88 -38.51 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.428 -0.952 . . . . 3.16 108.428 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.0 -67.19 0.37 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.749 -1.114 . . . . 1.2 110.203 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 1.12 111.329 -179.249 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 C--O 1.232 0.217 0 CA-C-O 121.004 0.335 . . . . 1.67 111.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 82.4 t -73.25 135.53 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.394 -0.595 . . . . 1.27 109.394 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.39 174.23 5.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.26 -0.427 . . . . 1.07 110.612 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.752 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -65.16 -17.67 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.498 -0.319 . . . . 1.11 110.563 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -75.17 -38.43 60.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 1.04 109.944 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.535 ' HB2' HG11 ' A' ' 4' ' ' VAL . 53.5 m-20 -66.92 -38.73 86.75 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.13 0.491 . . . . 1.75 109.846 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.84 -44.61 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 1.07 109.754 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.85 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.027 -0.988 . . . . 1.08 110.83 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.05 -32.91 69.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.067 -0.515 . . . . 2.21 111.787 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' HB2' HD12 ' A' ' 45' ' ' LEU . 32.5 t80 -78.06 -35.89 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.575 -0.284 . . . . 2.38 111.477 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . . . -86.46 -18.09 32.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.869 0.366 . . . . 1.05 111.38 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 36.69 15.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.685 -0.769 . . . . 0.52 111.378 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 37' ' ' LYS . 31.4 m -128.95 -174.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.087 -0.338 . . . . 1.12 110.087 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.52 155.49 16.72 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.693 -0.484 . . . . 1.37 109.693 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.752 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 33.6 p90 -59.11 -33.69 71.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.808 0.337 . . . . 2.19 110.727 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.1 tp60 -65.33 -35.54 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.278 -0.638 . . . . 1.64 109.278 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -63.24 -42.8 99.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.14 109.812 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 24' ' ' VAL . 83.6 t -60.5 -46.35 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.358 -0.837 . . . . 1.02 110.041 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -59.2 -31.78 69.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.743 -0.662 . . . . 0.88 111.023 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 37.7 mmt180 -63.01 -29.18 70.62 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.241 -0.436 . . . . 2.6 110.599 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.644 HG22 HG13 ' A' ' 30' ' ' VAL . 13.3 t -92.62 -48.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 1.18 111.376 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 20' ' ' VAL . 60.4 t -52.07 -48.34 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.711 -0.677 . . . . 1.08 112.664 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -109.99 5.99 22.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.736 -0.386 . . . . 1.72 111.42 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 47.0 mt-30 54.02 57.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.768 . . . . 5.44 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.89 30.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.424 -0.807 . . . . 2.79 111.384 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.506 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 7.5 t 60.59 -172.82 0.13 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.37 -0.832 . . . . 1.87 111.219 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 58.25 34.88 24.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.155 -0.475 . . . . 0.77 111.805 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.644 HG13 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -127.83 131.1 70.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.014 0.435 . . . . 1.66 110.948 178.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -101.01 169.44 8.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.359 -0.837 . . . . 1.3 109.962 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.75 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.641 0.258 . . . . 1.73 110.808 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -52.99 -46.37 68.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.836 -0.62 . . . . 3.81 111.324 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.616 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -83.16 -41.12 18.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 1.21 111.861 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.573 ' HG3' HG11 ' A' ' 23' ' ' VAL . 28.8 ttt180 -60.33 -38.7 84.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.86 0.318 . . . . 3.82 111.86 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.01 -9.51 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.39 0.515 . . . . 1.45 112.39 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -103.14 -29.87 11.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 1.59 110.351 179.056 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG11 ' HE1' ' A' ' 42' ' ' MET . 92.5 t -76.72 -45.82 31.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 1.07 110.706 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HG3' HG13 ' A' ' 23' ' ' VAL . 40.6 mt-10 -68.02 -20.37 64.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.222 0.534 . . . . 1.59 110.113 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -84.8 -43.53 14.11 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.507 -0.77 . . . . 1.17 109.834 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.59 86.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.08 111.087 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.784 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.2 ptp -71.9 -11.37 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.09 -0.505 . . . . 1.11 111.064 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.32 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 1.23 109.72 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -72.37 -57.67 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.319 -0.855 . . . . 1.36 111.103 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.28 -9.88 59.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.831 -1.077 . . . . 2.46 111.918 -178.367 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.1 m120 67.75 63.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.618 0.723 . . . . 2.45 109.667 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.904 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.1 t80 -65.62 136.35 56.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.649 -1.16 . . . . 2.01 111.862 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 mm -109.06 107.29 59.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.412 -0.813 . . . . 1.83 111.007 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.69 111.58 2.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.684 2.256 . . . . 0.65 110.512 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -79.87 112.83 17.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.54 111.802 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -76.97 -22.02 53.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.563 -0.744 . . . . 5.89 110.558 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -48.85 21.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.912 -0.586 . . . . 0.83 109.847 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.78 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.336 -0.847 . . . . 1.18 110.281 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.24 -38.68 91.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.739 -0.664 . . . . 1.41 109.909 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -71.99 -42.13 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 2.53 110.331 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.9 -46.74 77.21 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.008 -0.542 . . . . 1.27 111.173 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.66 -23.08 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 1.24 111.133 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 CA-C-N 115.95 -0.568 . . . . 1.14 112.411 179.337 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.1 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.929 0.395 . . . . 1.33 110.233 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.4 p -89.37 175.26 7.39 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.932 -0.577 . . . . 1.12 110.746 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -81.13 -8.89 59.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.379 -1.341 . . . . 1.37 107.379 178.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.407 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 14.4 m-85 -79.53 -44.46 21.13 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.496 -1.684 . . . . 2.18 109.576 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.47 -38.8 85.38 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.318 -0.855 . . . . 1.31 110.338 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.596 ' HA ' HD21 ' B' ' 45' ' ' LEU . 68.0 t -60.4 -43.38 93.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.501 -0.772 . . . . 1.05 110.746 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -67.96 -48.51 65.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 1.07 111.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.89 -40.43 73.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.606 -0.725 . . . . 2.34 111.818 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.556 ' CB ' HD23 ' B' ' 45' ' ' LEU . 26.6 t80 -73.53 -36.95 65.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.625 . . . . 2.46 111.601 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.674 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -73.65 -22.87 59.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 1.18 111.457 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.31 8.9 63.92 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.61 112.265 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' B' ' 13' ' ' ALA . 27.2 m -109.25 169.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.131 -0.322 . . . . 1.11 110.131 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 148.22 44.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.809 -0.812 . . . . 0.78 108.809 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.553 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -62.14 -21.55 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.373 . . . . 2.39 111.284 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.7 -24.0 60.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.06 0.457 . . . . 1.4 109.874 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.567 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 51.8 m -68.08 -29.58 68.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.33 -0.989 . . . . 1.15 108.33 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 t -69.8 -51.7 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.399 -0.963 . . . . 1.1 108.399 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -50.43 -36.2 32.08 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 120.906 0.384 . . . . 1.34 110.245 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.567 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 22.9 mtm180 -68.12 -51.54 45.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.055 -0.521 . . . . 3.18 110.603 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.595 HG11 ' HG3' ' B' ' 35' ' ' ARG . 86.8 t -57.66 -33.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.386 0.612 . . . . 1.18 110.669 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 71.2 t -81.82 -31.35 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 1.35 112.177 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 . . . . . 0 C--N 1.332 -0.183 0 N-CA-C 112.765 0.654 . . . . 1.68 112.765 -178.13 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.653 0.263 . . . . 1.63 110.821 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' B' ' 22' ' ' ARG . 44.7 t -129.31 98.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.462 . . . . 1.84 110.881 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 159.05 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.654 -0.703 . . . . 1.42 110.957 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.36 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 1.59 110.86 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.69 -52.92 63.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.983 -0.553 . . . . 3.76 111.561 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.457 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -68.62 -39.78 80.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.605 -0.271 . . . . 1.34 111.468 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.595 ' HG3' HG11 ' B' ' 23' ' ' VAL . 45.1 ttt180 -60.98 -49.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 3.81 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.51 -33.99 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 2.09 111.274 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.674 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.5 ttpt -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.877 0.37 . . . . 2.16 110.25 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 34' ' ' THR . 84.4 t -70.54 -45.82 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.14 110.282 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.27 -41.41 84.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 1.79 111.134 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.86 80.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.312 -0.404 . . . . 1.38 110.554 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.437 ' HB2' HG11 ' B' ' 9' ' ' VAL . . . -64.55 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.14 110.808 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.413 ' HG2' HG13 ' B' ' 9' ' ' VAL . 41.6 mtt -60.5 -23.82 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.54 . . . . 1.14 110.24 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.71 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 1.26 110.367 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.77 -52.25 64.97 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 115.917 -0.583 . . . . 1.55 110.868 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' B' ' 9' ' ' VAL . 0.8 OUTLIER -81.53 -18.94 43.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 1.58 111.299 -179.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.471 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.3 t30 69.85 59.78 0.28 Allowed 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 107.304 -1.369 . . . . 1.87 107.304 -176.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.5 t80 -49.08 118.88 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.129 -1.396 . . . . 2.23 112.787 -178.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 46' ' ' ASN . 40.4 mt -116.87 94.51 44.44 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 107.304 -1.369 . . . . 1.97 107.304 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -28.21 122.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 125.014 3.809 . . . . 0.95 114.902 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.4 57.66 0.53 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.988 -1.006 . . . . 1.64 110.349 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -48.1 -25.33 1.4 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.538 0.94 . . . . 5.46 113.538 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 -69.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.92 109.806 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.938 -0.574 . . . . 1.22 111.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.76 -45.26 65.1 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 1.49 110.635 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -68.44 -35.34 77.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.807 -0.442 . . . . 3.16 109.807 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.02 -57.82 9.38 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.355 -0.839 . . . . 1.2 108.833 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 124.113 0.883 . . . . 1.12 112.782 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.462 -0.348 0 N-CA-C 110.917 -0.455 . . . . 1.67 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.735 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 76.7 t -66.62 129.68 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.118 -0.697 . . . . 1.27 109.118 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -100.56 171.24 7.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.761 -0.654 . . . . 1.07 110.106 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.728 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.44 -15.47 63.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 1.11 110.545 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.96 -34.66 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.211 0.529 . . . . 1.04 110.021 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB2' HG11 ' A' ' 4' ' ' VAL . 17.9 m-20 -72.95 -36.85 67.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.576 -0.738 . . . . 1.75 109.622 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 42' ' ' MET . 40.0 t -68.48 -44.69 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.425 -0.807 . . . . 1.07 109.91 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.41 98.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.025 -0.989 . . . . 1.08 110.788 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -66.07 -41.91 90.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.848 -0.614 . . . . 2.21 111.458 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -70.93 -35.07 72.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 2.38 111.819 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -84.42 -20.36 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.93 0.395 . . . . 1.05 111.373 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.63 37.35 12.05 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.983 -0.847 . . . . 0.52 110.983 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 13' ' ' ALA . 28.1 m -130.01 -165.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.712 -0.477 . . . . 1.12 109.712 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 p -107.82 152.91 23.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.774 -0.454 . . . . 1.37 109.774 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.728 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.9 p90 -55.63 -33.78 64.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.526 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 22' ' ' ARG . 63.3 tp60 -65.58 -36.0 82.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.64 109.823 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 23' ' ' VAL . 91.2 m -66.92 -41.71 86.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.756 -0.831 . . . . 1.14 108.756 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' HG21 ' A' ' 24' ' ' VAL . 71.4 t -61.03 -45.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 1.02 109.877 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.685 -0.689 . . . . 0.88 110.75 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.633 ' HB3' HG23 ' A' ' 30' ' ' VAL . 58.2 mtt180 -66.37 -30.97 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.6 110.305 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG11 ' HG3' ' A' ' 35' ' ' ARG . 46.4 t -81.05 -47.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.816 -0.629 . . . . 1.18 110.366 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.541 HG21 ' O ' ' A' ' 20' ' ' VAL . 47.4 t -59.75 -46.65 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.797 -0.638 . . . . 1.08 111.177 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.81 -15.57 57.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 1.72 111.094 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 59.83 55.57 3.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.45 0.643 . . . . 5.44 110.121 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.02 -148.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.229 -0.896 . . . . 2.79 111.377 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -100.57 -176.58 3.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 1.87 110.787 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 1.6 m170 62.0 27.42 16.61 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.037 0.535 . . . . 0.77 111.777 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG23 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -120.12 105.7 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 120.63 -0.428 . . . . 1.66 111.667 -179.42 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -73.45 153.74 40.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.13 -0.693 . . . . 1.3 109.13 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.3 -43.01 78.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.171 0.434 . . . . 1.73 112.171 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -56.38 -47.01 79.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.339 -0.391 . . . . 3.81 111.998 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.629 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -73.8 -37.35 64.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.047 -0.261 . . . . 1.21 111.582 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HG3' HG11 ' A' ' 23' ' ' VAL . 31.4 ttt180 -60.06 -43.07 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.736 0.303 . . . . 3.82 111.376 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 20.0 mt-10 -75.73 -21.65 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.263 0.468 . . . . 1.45 112.263 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.629 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -89.03 -28.56 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.225 -0.59 . . . . 1.59 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 34' ' ' THR . 72.4 t -73.7 -43.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.823 -0.436 . . . . 1.07 109.823 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.6 mt-10 -64.69 -29.31 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 1.59 109.898 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.45 60.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.781 . . . . 1.17 110.692 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.84 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.08 111.752 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.728 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.6 ptp -70.45 -11.26 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.277 -0.42 . . . . 1.11 110.81 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.86 15.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.084 0.469 . . . . 1.23 110.368 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.45 -51.58 34.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.839 0.828 . . . . 1.36 110.52 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 4' ' ' VAL . 1.6 mt -82.41 -13.35 56.95 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.649 -1.159 . . . . 2.46 111.78 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.51 67.18 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.815 0.817 . . . . 2.45 109.532 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.735 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.3 t80 -69.38 138.91 54.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.293 -1.321 . . . . 2.01 111.992 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -109.11 107.06 59.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.671 -0.695 . . . . 1.83 110.902 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.33 103.75 1.14 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.57 2.18 . . . . 0.65 110.643 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -74.56 111.96 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.393 0.516 . . . . 0.54 112.393 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -84.11 -21.94 31.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 5.89 110.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.63 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.73 -37.51 70.58 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.429 -0.952 . . . . 0.83 108.429 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.95 -30.97 67.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.997 -1.001 . . . . 1.18 109.185 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.48 -36.13 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.508 -0.769 . . . . 1.41 109.743 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.67 -30.65 71.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.393 0.616 . . . . 2.53 109.486 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.81 -55.4 4.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.209 -0.905 . . . . 1.27 110.673 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.3 68.25 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.015 -0.539 . . . . 1.24 112.408 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 121.02 -0.609 . . . . 1.14 112.468 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.914 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 57.5 t . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.959 0.409 . . . . 1.33 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.431 HG21 HD22 ' B' ' 50' ' ' ASN . 6.0 p -91.26 167.46 12.3 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.148 -0.478 . . . . 1.12 110.063 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -81.04 -8.1 59.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.128 -1.064 . . . . 1.37 108.128 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 14.2 m-85 -79.81 -41.37 26.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.692 -1.595 . . . . 2.18 109.38 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.42 -37.33 87.15 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.474 -0.785 . . . . 1.31 110.166 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.522 ' HA ' HD21 ' B' ' 45' ' ' LEU . 83.2 t -58.73 -39.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.357 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.53 -47.78 62.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 1.07 111.532 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 46.5 mt-10 -57.45 -40.67 78.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 2.34 111.767 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -75.36 -35.55 61.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.518 -0.31 . . . . 2.46 111.835 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.99 -27.38 60.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 1.18 111.454 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.28 35.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.61 112.013 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -121.33 175.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.797 -0.446 . . . . 1.11 109.797 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 90.6 p -77.37 155.49 31.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.103 -0.703 . . . . 0.78 109.103 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.56 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -61.16 -26.68 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 2.39 110.081 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.37 -30.78 68.85 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 1.4 110.515 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -61.57 -37.13 82.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.093 -0.706 . . . . 1.15 109.093 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' B' ' 38' ' ' VAL . 37.0 t -72.77 -42.63 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.158 -0.928 . . . . 1.1 108.812 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 2.0 t -54.78 -38.49 67.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.471 -0.786 . . . . 1.34 110.29 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 38.5 mmt180 -62.1 -54.04 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.624 -0.716 . . . . 3.18 110.938 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.512 HG23 HG13 ' B' ' 30' ' ' VAL . 13.7 t -61.3 -36.16 71.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.171 0.51 . . . . 1.18 110.411 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.404 HG22 HD11 ' B' ' 6' ' ' LEU . 3.5 t -67.8 -36.65 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.529 -0.76 . . . . 1.35 111.054 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 1.68 110.868 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.663 0.268 . . . . 1.63 110.844 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.512 HG13 HG23 ' B' ' 23' ' ' VAL . 13.1 t -131.95 104.96 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 1.84 110.115 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 154.38 35.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 1.42 110.393 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.29 -41.39 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.234 0.334 . . . . 1.59 111.719 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 45.3 mtmt -58.14 -52.62 64.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.15 -0.477 . . . . 3.76 110.58 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.402 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 1.34 111.088 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 3.81 110.476 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.34 -38.86 91.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.5 -0.773 . . . . 2.09 111.252 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 98.6 mttt -60.86 -46.25 91.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 2.16 110.38 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.592 HG13 ' HE2' ' B' ' 42' ' ' MET . 95.2 t -64.52 -51.22 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.653 -0.703 . . . . 1.14 110.717 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.2 -43.38 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 1.79 111.125 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.15 89.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 1.38 110.983 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' B' ' 9' ' ' VAL . . . -63.4 -33.19 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 1.14 110.627 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.592 ' HE2' HG13 ' B' ' 38' ' ' VAL . 62.2 mtt -63.91 -24.02 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 1.14 109.757 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.0 -37.13 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.676 -0.693 . . . . 1.26 110.26 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.39 -47.91 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.982 -0.553 . . . . 1.55 110.643 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' B' ' 9' ' ' VAL . 0.1 OUTLIER -78.6 -22.2 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.532 -0.758 . . . . 1.58 111.796 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 68.97 54.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.72 -1.585 . . . . 1.87 106.72 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.914 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -52.66 108.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.65 -1.613 . . . . 2.23 113.211 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mm -110.53 96.19 26.41 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.255 -1.387 . . . . 1.97 107.255 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -30.86 130.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.042 3.828 . . . . 0.95 115.255 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.431 HD22 HG21 ' B' ' 5' ' ' THR . 5.6 m-20 -72.43 66.45 0.68 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 114.856 -1.066 . . . . 1.64 109.833 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -42.76 -43.46 3.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.646 0.98 . . . . 5.46 113.646 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.63 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 63.2 m -58.77 -54.78 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 0.92 112.063 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.4 -27.64 41.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 1.22 111.954 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.63 -46.26 54.93 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.89 0.33 . . . . 1.49 111.89 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.05 -28.43 66.54 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.589 -0.523 . . . . 3.16 109.589 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 12.1 tp -70.63 -70.6 0.29 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 1.2 109.788 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 114.97 -1.014 . . . . 1.12 112.763 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.463 -0.301 0 CA-C-O 120.854 0.273 . . . . 1.67 112.225 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.857 HG13 ' HG ' ' A' ' 45' ' ' LEU . 87.2 t -90.88 134.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.944 -0.762 . . . . 1.27 108.944 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.02 171.75 7.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.743 0.306 . . . . 1.07 110.957 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.0 pt? -65.63 -17.11 64.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 1.11 110.524 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.24 -33.9 61.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.309 -0.626 . . . . 1.04 109.309 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' HB2' HG11 ' A' ' 4' ' ' VAL . 5.4 m-20 -68.35 -40.32 81.58 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.489 -0.778 . . . . 1.75 109.65 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.81 -44.15 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 1.07 110.165 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.87 79.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.16 -0.927 . . . . 1.08 110.939 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.62 -27.23 51.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.363 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 4.7 t80 -77.41 -36.93 52.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 2.38 110.435 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' HG3' ' A' ' 37' ' ' LYS . . . -89.52 -17.13 29.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 1.05 111.729 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.65 39.88 16.61 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 110.991 -0.843 . . . . 0.52 110.991 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 13' ' ' ALA . 22.8 m -131.21 -172.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.153 -0.524 . . . . 1.12 109.625 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.9 p -96.68 158.07 15.6 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.238 -0.653 . . . . 1.37 109.238 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.67 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 51.5 p90 -62.7 -25.58 68.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.279 -0.638 . . . . 2.19 109.279 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -67.2 -35.22 79.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.175 -0.921 . . . . 1.64 109.328 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -67.79 -41.26 83.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.738 -0.665 . . . . 1.14 109.558 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.4 t -60.0 -53.62 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.467 -0.788 . . . . 1.02 110.062 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 t -62.09 -29.89 70.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.388 -0.369 . . . . 0.88 110.344 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -59.42 -27.09 65.73 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.581 -0.736 . . . . 2.6 111.277 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 30' ' ' VAL . 21.6 t -102.61 -48.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.393 -0.367 . . . . 1.18 111.347 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 20' ' ' VAL . 42.9 t -55.6 -51.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.771 1.026 . . . . 1.08 113.771 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -130.76 22.37 5.02 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.625 0.972 . . . . 1.72 113.625 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.484 ' OE1' ' HD2' ' A' ' 22' ' ' ARG . 66.0 mt-30 -129.1 -53.38 1.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.712 -0.795 . . . . 5.44 112.074 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.4 38.93 12.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.546 0.689 . . . . 2.79 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.56 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.4 t -155.17 158.01 38.29 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.971 -1.013 . . . . 1.87 108.297 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 64.5 28.63 13.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.813 0.279 . . . . 0.77 110.959 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 HG21 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -125.43 126.82 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.71 -0.478 . . . . 1.66 109.71 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.008 -0.542 . . . . 1.3 111.573 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.24 -62.02 0.06 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.723 0.268 . . . . 1.73 111.723 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -54.97 -42.66 72.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.92 0.391 . . . . 3.81 110.796 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.6 -42.25 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 1.21 111.229 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -64.75 -41.2 96.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.427 . . . . 3.82 110.487 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.33 -21.51 62.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 1.45 112.375 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HG3' ' HB2' ' A' ' 13' ' ' ALA . 16.8 ptpt -93.18 -27.57 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.795 -0.362 . . . . 1.59 110.63 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 34' ' ' THR . 77.4 t -75.34 -45.87 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.405 -0.361 . . . . 1.07 110.782 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 23.8 mt-10 -68.67 -20.35 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 1.59 110.42 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -85.04 -42.32 14.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.772 -0.649 . . . . 1.17 110.07 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.612 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -65.43 -43.3 90.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.851 -0.613 . . . . 1.08 111.654 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.704 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -66.37 -10.01 39.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 1.11 111.604 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.62 -11.73 21.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.211 0.529 . . . . 1.23 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 8.1 mm-40 -84.8 -59.54 2.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.672 -0.695 . . . . 1.36 110.771 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.857 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.62 1.35 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.295 -0.866 . . . . 2.46 112.03 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 45' ' ' LEU . 7.9 t-20 63.48 70.6 0.52 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.443 0.64 . . . . 2.45 111.147 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 8.6 t80 -76.82 131.15 38.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.703 -0.68 . . . . 2.01 110.656 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.41 106.37 57.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.683 -0.689 . . . . 1.83 110.992 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.68 116.94 3.96 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.374 2.049 . . . . 0.65 110.285 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -83.64 113.3 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.114 0.483 . . . . 0.54 111.988 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 38.1 mtm180 -73.65 -30.23 62.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 5.89 110.821 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.697 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -69.87 -41.06 75.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.83 110.263 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.76 74.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.914 -0.585 . . . . 1.18 109.536 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -64.9 -40.27 94.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 1.41 110.292 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 92.6 mt-30 -66.47 -45.37 79.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 2.53 110.366 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.43 -50.57 67.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.484 -0.78 . . . . 1.27 111.317 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -26.65 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.717 -0.674 . . . . 1.24 112.117 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.048 -0.596 . . . . 1.14 112.515 -179.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.573 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 61.7 t . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.813 -0.44 . . . . 1.33 109.813 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 24.0 p -93.03 176.68 6.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.27 -0.423 . . . . 1.12 109.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -79.9 -10.25 59.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.714 -1.217 . . . . 1.37 107.714 179.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.438 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 18.6 m-85 -78.59 -40.11 35.55 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.696 -1.593 . . . . 2.18 109.75 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.16 -37.27 85.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.764 -0.653 . . . . 1.31 110.015 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.37 -36.78 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.91 . . . . 1.05 110.567 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -67.43 -55.02 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.213 -0.903 . . . . 1.07 111.726 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.611 . . . . 2.34 111.622 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.457 ' CD1' HD21 ' B' ' 45' ' ' LEU . 68.3 t80 -67.58 -44.88 77.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 2.46 111.025 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.668 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -75.54 -18.21 59.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.129 0.49 . . . . 1.18 111.707 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.97 14.45 67.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.95 -0.643 . . . . 0.61 112.333 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.08 176.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.671 -0.492 . . . . 1.11 109.671 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 83.4 p -78.29 157.05 29.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.502 -0.925 . . . . 0.78 108.502 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.576 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -68.37 -15.86 63.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.505 0.669 . . . . 2.39 109.852 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -78.39 -27.54 46.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.246 -0.888 . . . . 1.4 109.469 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -62.85 -30.67 71.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.691 -0.855 . . . . 1.15 108.691 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.477 ' HA ' HG12 ' B' ' 38' ' ' VAL . 3.4 t -70.24 -50.68 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.029 -0.987 . . . . 1.1 109.109 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -48.08 -36.42 13.08 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.004 0.521 . . . . 1.34 111.768 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 40.8 mmt180 -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.183 -0.462 . . . . 3.18 111.398 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.69 -36.35 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 1.18 111.328 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.62 -38.65 82.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.825 -0.625 . . . . 1.35 111.821 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.639 0.733 . . . . 1.68 111.236 -179.388 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 120.977 0.417 . . . . 1.63 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.26 123.51 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.937 -0.574 . . . . 1.84 110.367 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -73.34 153.59 40.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.851 -0.613 . . . . 1.42 109.657 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.475 ' HA ' ' HD2' ' B' ' 35' ' ' ARG . . . -50.82 -44.75 59.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.786 0.291 . . . . 1.59 111.786 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.9 -45.59 91.81 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.057 0.456 . . . . 3.76 111.247 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -40.14 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.043 -0.526 . . . . 1.34 111.738 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 50.5 mtt180 -54.08 -54.44 39.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.181 0.515 . . . . 3.81 110.691 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.82 -41.17 95.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.325 -0.852 . . . . 2.09 111.332 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.668 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 23.8 ttmm -58.2 -46.67 85.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.646 . . . . 2.16 111.615 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' B' ' 20' ' ' VAL . 53.4 t -70.55 -46.94 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.42 -0.355 . . . . 1.14 111.248 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.75 -42.26 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 1.79 110.906 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.14 -34.06 75.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.518 -0.31 . . . . 1.38 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.13 73.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 1.14 110.448 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 54.1 mtt -67.26 -19.49 65.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.564 . . . . 1.14 110.44 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.58 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.787 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 76.8 mm-40 -64.1 -55.61 20.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.335 0.588 . . . . 1.55 110.722 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.3 OUTLIER -84.51 -10.25 57.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.474 -0.785 . . . . 1.58 111.208 -179.249 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 t30 61.65 63.32 1.17 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.446 -0.946 . . . . 1.87 108.446 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.573 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -59.09 117.63 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.535 -1.212 . . . . 2.23 112.188 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.5 mt -118.15 101.14 51.71 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 107.471 -1.307 . . . . 1.97 107.471 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.29 134.54 8.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.801 3.001 . . . . 0.95 114.018 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 88.3 m-20 -60.14 99.71 0.08 Allowed 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.777 -0.647 . . . . 1.64 109.773 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.55 ' HD3' ' H ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -51.59 -38.05 52.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.974 0.361 . . . . 5.46 111.974 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.697 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 57.9 m -75.3 -54.18 7.51 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.727 0.64 . . . . 0.92 112.727 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -38.28 63.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.526 0.936 . . . . 1.22 113.526 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 5.4 mm-40 -67.13 -52.73 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.816 0.302 . . . . 1.49 111.816 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.3 -35.98 74.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.32 0.581 . . . . 3.16 110.256 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 11.7 tp -64.88 -67.35 0.44 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.155 -0.93 . . . . 1.2 110.702 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 1.12 113.808 -178.189 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.461 -0.413 0 CA-C-O 121.217 0.424 . . . . 1.67 111.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.074 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.1 t -70.55 144.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.726 -0.67 . . . . 1.27 110.115 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.62 165.15 11.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.165 -0.471 . . . . 1.07 110.229 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.905 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -64.26 -16.78 62.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 1.11 111.238 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -77.58 -36.4 52.05 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.04 109.956 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -34.89 67.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.75 110.34 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.17 -41.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.478 0.656 . . . . 1.07 109.432 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.47 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.937 -1.028 . . . . 1.08 111.308 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -35.58 80.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.795 -0.639 . . . . 2.21 111.616 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.484 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.6 t80 -79.49 -34.42 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.53 -0.304 . . . . 2.38 111.479 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.24 -16.89 44.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.621 0.248 . . . . 1.05 111.172 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.94 30.11 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.977 -0.849 . . . . 0.52 110.977 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 13' ' ' ALA . 27.7 m -129.29 -165.54 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.062 -0.569 . . . . 1.12 109.813 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -110.35 152.45 26.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.878 -0.601 . . . . 1.37 109.394 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.905 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 43.9 p90 -55.13 -25.54 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.961 0.41 . . . . 2.19 110.939 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 7.7 tp-100 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 1.64 109.626 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG21 ' A' ' 23' ' ' VAL . 41.6 m -65.82 -47.06 76.3 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.097 -0.956 . . . . 1.14 109.594 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HA ' HG11 ' A' ' 38' ' ' VAL . 98.7 t -54.91 -50.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.145 -0.934 . . . . 1.02 111.134 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.7 t -60.54 -36.44 78.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.439 -0.346 . . . . 0.88 111.516 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.616 ' HB3' HG22 ' A' ' 30' ' ' VAL . 88.1 mtt-85 -68.85 -27.37 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.727 0.299 . . . . 2.6 110.586 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 19' ' ' THR . 65.2 t -83.26 -50.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 1.18 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.537 HG21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 t -58.81 -45.63 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.416 -0.811 . . . . 1.08 112.102 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -88.6 -3.64 58.75 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.898 0.333 . . . . 1.72 111.898 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 55.92 65.54 1.42 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.3 0.572 . . . . 5.44 109.983 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.82 -153.07 0.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.721 -0.672 . . . . 2.79 111.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 1.9 p -99.48 175.82 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 1.87 110.324 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.474 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 2.0 m170 62.23 39.71 12.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.825 0.45 . . . . 0.77 111.538 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.616 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -130.14 124.97 59.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 120.805 0.336 . . . . 1.66 111.239 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -99.52 148.65 24.04 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.487 -0.561 . . . . 1.3 109.487 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.19 -26.34 66.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 1.73 111.972 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -61.13 -43.84 98.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.929 0.395 . . . . 3.81 111.067 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -91.84 -28.83 17.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 1.21 111.293 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -56.1 -42.99 77.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 3.82 110.974 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 37.5 mt-10 -69.06 -41.08 78.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.419 0.526 . . . . 1.45 112.419 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 19.2 ptpt -68.61 -31.96 71.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 1.59 110.809 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' A' ' 20' ' ' VAL . 92.0 t -74.13 -42.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.25 -0.432 . . . . 1.07 109.998 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.53 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 35.8 mt-10 -65.23 -27.83 68.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.184 0.516 . . . . 1.59 109.898 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -81.92 -39.65 23.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.649 -0.705 . . . . 1.17 110.441 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.75 91.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.037 0.446 . . . . 1.08 110.997 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.786 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -72.89 -6.23 43.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 1.11 110.738 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.212 0.529 . . . . 1.23 109.909 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.6 mm-40 -72.21 -61.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 1.36 110.109 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -13.95 60.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.967 -1.015 . . . . 2.46 111.411 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.5 62.27 0.28 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.573 0.701 . . . . 2.45 109.438 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 1.074 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.1 t80 -64.39 138.06 58.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.573 -1.194 . . . . 2.01 111.599 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.33 104.44 53.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.83 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.53 115.77 2.89 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.805 2.337 . . . . 0.65 111.221 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -83.17 98.77 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.54 111.563 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -73.85 -15.58 61.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 5.89 110.654 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.52 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -77.91 -41.21 37.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.037 -0.727 . . . . 0.83 109.037 179.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -28.15 66.27 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.361 -0.836 . . . . 1.18 109.282 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -37.01 80.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.222 -0.899 . . . . 1.41 110.006 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.87 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 2.53 110.149 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -82.28 -54.95 4.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.87 -0.605 . . . . 1.27 110.307 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.42 87.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.729 -0.669 . . . . 1.24 110.599 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-N 115.791 -0.64 . . . . 1.14 111.708 179.328 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.59 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 84.6 t . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.524 -0.546 . . . . 1.33 109.524 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 19.0 p -91.13 173.67 7.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.947 -0.57 . . . . 1.12 110.2 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.478 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -76.2 -11.39 59.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.822 -1.177 . . . . 1.37 107.822 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.567 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 31.8 m-85 -75.71 -43.86 45.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.081 -1.418 . . . . 2.18 109.414 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.468 ' HB2' HG13 ' B' ' 4' ' ' VAL . 9.5 m-20 -61.91 -40.35 95.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.875 -0.602 . . . . 1.31 110.183 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.487 ' HA ' HD22 ' B' ' 45' ' ' LEU . 55.7 t -58.65 -43.31 87.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.23 -0.896 . . . . 1.05 110.577 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.617 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.45 -46.44 76.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 1.07 112.226 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 5.2 mm-40 -57.86 -40.74 80.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 2.34 111.7 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.53 ' CB ' HD21 ' B' ' 45' ' ' LEU . 57.2 t80 -71.33 -41.38 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 2.46 111.06 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.37 62.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.514 . . . . 1.18 111.606 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.22 62.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.633 . . . . 0.61 112.295 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.43 174.22 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 1.11 110.229 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 154.27 40.47 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.775 -0.824 . . . . 0.78 108.775 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.617 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.73 -25.96 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 2.39 110.337 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.82 -20.58 56.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.873 -0.603 . . . . 1.4 110.508 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -64.53 -29.56 70.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.921 -0.77 . . . . 1.15 108.921 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 t -69.65 -46.38 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.323 -0.992 . . . . 1.1 108.323 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -52.89 -34.55 55.38 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.076 0.465 . . . . 1.34 110.31 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -64.59 -56.09 16.15 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.679 -0.692 . . . . 3.18 110.619 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.551 HG21 HG12 ' B' ' 30' ' ' VAL . 97.4 t -58.73 -32.07 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 1.18 110.816 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.83 -38.22 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.593 -0.73 . . . . 1.35 112.034 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.331 -0.21 0 N-CA-C 112.879 0.696 . . . . 1.68 112.879 -178.483 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 1.63 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.551 HG12 HG21 ' B' ' 23' ' ' VAL . 41.9 t -122.21 113.67 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.672 -0.492 . . . . 1.84 109.672 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 161.56 21.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.42 110.562 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -43.68 75.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 1.59 110.568 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 20.4 ttpt -49.56 -55.83 12.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.606 -0.725 . . . . 3.76 111.709 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -37.27 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.18 0.437 . . . . 1.34 112.18 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -59.92 -45.56 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.567 -0.288 . . . . 3.81 111.033 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.31 -33.29 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.09 110.801 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 65.7 mttm -62.41 -48.67 78.68 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.324 -0.398 . . . . 2.16 110.561 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.502 HG11 ' HE1' ' B' ' 42' ' ' MET . 59.0 t -66.3 -48.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.656 -0.702 . . . . 1.14 110.901 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.83 -45.21 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.895 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.63 -43.62 88.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.38 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.75 -33.11 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.14 111.676 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.502 ' HE1' HG11 ' B' ' 38' ' ' VAL . 61.4 mtt -62.57 -19.98 64.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.404 -0.362 . . . . 1.14 111.078 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.95 -29.04 11.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 1.26 110.911 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 6.2 mm-40 -70.32 -43.42 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.822 0.344 . . . . 1.55 110.289 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -88.37 -18.35 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.58 110.369 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 68.21 58.66 0.44 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 107.039 -1.467 . . . . 1.87 107.039 -176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.59 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -55.13 117.34 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 113.969 -1.469 . . . . 2.23 113.091 -177.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -124.16 92.59 48.05 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 107.6 -1.259 . . . . 1.97 107.6 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.35 129.66 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.785 2.99 . . . . 0.95 113.545 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -54.74 99.73 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.784 -0.644 . . . . 1.64 109.979 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -54.02 -36.24 62.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.938 0.399 . . . . 5.46 111.153 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.7 m -76.92 -54.53 6.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.759 0.651 . . . . 0.92 112.759 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.86 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.318 0.858 . . . . 1.22 113.318 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 8.6 mm-40 -72.41 -47.99 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.635 0.606 . . . . 1.49 112.635 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.24 -33.36 75.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.291 0.567 . . . . 3.16 109.685 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 13.9 tp -66.65 -61.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.136 -0.938 . . . . 1.2 110.234 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.143 -0.935 . . . . 1.12 112.868 -178.43 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.883 0.285 . . . . 1.67 112.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.5 t -75.33 131.49 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.596 -0.52 . . . . 1.27 109.596 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.82 170.55 7.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.033 -0.53 . . . . 1.07 110.11 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.68 -15.55 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 1.11 110.141 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -76.86 -35.16 57.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.853 -0.612 . . . . 1.04 109.52 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.95 -38.11 85.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.951 -0.568 . . . . 1.75 110.217 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 t -69.5 -42.81 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.605 -0.725 . . . . 1.07 109.587 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.96 79.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.034 -0.985 . . . . 1.08 111.092 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.1 -39.76 75.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.131 -0.486 . . . . 2.21 111.707 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -74.33 -34.98 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 2.38 111.473 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -85.9 -16.14 39.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 1.05 111.676 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.18 38.05 30.68 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.885 -0.886 . . . . 0.52 110.885 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 13' ' ' ALA . 27.7 m -130.79 -165.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.305 -0.448 . . . . 1.12 110.031 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -106.43 157.03 17.93 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.266 -0.642 . . . . 1.37 109.266 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.854 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.8 p90 -59.75 -31.11 69.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.089 0.471 . . . . 2.19 110.024 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -66.74 -35.45 80.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.536 -0.756 . . . . 1.64 109.6 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.9 m -65.76 -48.64 71.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.759 -0.83 . . . . 1.14 108.759 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 HG13 ' A' ' 38' ' ' VAL . 74.9 t -58.62 -48.99 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.23 -0.895 . . . . 1.02 110.696 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' HD11 ' A' ' 6' ' ' LEU . 22.9 t -58.59 -39.1 79.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.88 111.368 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HB2' HG22 ' A' ' 30' ' ' VAL . 59.5 mtt180 -68.34 -24.84 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 2.6 110.561 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 35' ' ' ARG . 83.9 t -81.4 -44.75 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.213 0.53 . . . . 1.18 109.864 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 20' ' ' VAL . 47.9 t -62.78 -44.48 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.269 -0.878 . . . . 1.08 110.6 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.91 -11.16 59.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.323 -0.399 . . . . 1.72 111.293 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.17 63.4 1.08 Allowed 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.71 0.631 . . . . 5.44 110.953 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 -166.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.73 -0.668 . . . . 2.79 110.834 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -92.24 -161.87 0.87 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.962 -0.563 . . . . 1.87 110.652 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.1 m170 67.99 -60.52 0.4 Allowed 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.456 0.702 . . . . 0.77 112.608 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 22' ' ' ARG . 97.2 t -64.58 117.36 5.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.355 0.597 . . . . 1.66 111.239 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.86 168.86 19.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.144 -0.935 . . . . 1.3 110.964 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.87 -39.28 88.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.587 0.217 . . . . 1.73 111.587 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -52.91 -48.21 67.39 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.987 0.422 . . . . 3.81 111.345 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.57 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -82.86 -28.07 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 1.21 111.548 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HG3' HG11 ' A' ' 23' ' ' VAL . 13.1 ttm180 -66.31 -46.3 77.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.957 0.408 . . . . 3.82 111.307 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 59.2 mt-10 -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.78 -0.646 . . . . 1.45 112.352 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.7 ptpt -81.79 -28.53 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.158 -0.617 . . . . 1.59 109.93 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 34' ' ' THR . 76.5 t -73.01 -44.55 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.07 109.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.94 -32.52 73.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.574 -0.739 . . . . 1.59 110.114 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.2 -35.08 42.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 1.17 111.049 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.15 74.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.842 0.353 . . . . 1.08 110.994 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.797 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.7 ptp -71.66 -10.72 60.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 1.11 110.687 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.77 -22.68 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 1.23 109.666 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 80.0 mm-40 -80.79 -51.12 8.99 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.034 -0.985 . . . . 1.36 110.606 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.54 6.95 31.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 2.46 111.185 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 p30 47.27 46.73 16.8 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.779 0.8 . . . . 2.45 111.136 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.797 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 7.7 t80 -52.15 126.8 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.642 -1.163 . . . . 2.01 112.123 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -103.52 109.65 62.33 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.993 -1.003 . . . . 1.83 110.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.07 106.45 1.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.57 2.18 . . . . 0.65 110.982 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -68.74 105.79 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.54 111.502 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 39.0 ptt180 -73.15 -22.84 60.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.521 -0.763 . . . . 5.89 110.618 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.577 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -72.09 -40.65 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.298 0.57 . . . . 0.83 110.114 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -31.06 69.83 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.457 -0.792 . . . . 1.18 109.289 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.45 -40.53 85.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.023 -0.989 . . . . 1.41 110.018 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 89.4 mt-30 -62.74 -41.91 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 2.53 109.862 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.91 -52.3 37.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.491 -0.777 . . . . 1.27 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.31 68.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.684 . . . . 1.24 110.784 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.921 -0.581 . . . . 1.14 111.953 178.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 46.3 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 110.458 -0.201 . . . . 1.33 110.458 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.9 p -95.46 170.95 9.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.254 -0.43 . . . . 1.12 110.183 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.501 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -79.61 -6.16 56.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.884 -1.154 . . . . 1.37 107.884 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.42 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 20.8 m-85 -82.1 -40.01 22.53 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.937 -1.483 . . . . 2.18 109.956 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.55 -39.22 93.36 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.029 -0.532 . . . . 1.31 110.335 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.503 ' HA ' HD21 ' B' ' 45' ' ' LEU . 40.0 t -59.21 -38.75 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.253 -0.885 . . . . 1.05 110.368 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -71.78 -53.52 13.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.283 -0.871 . . . . 1.07 112.531 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.09 -31.38 67.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.412 -0.358 . . . . 2.34 111.507 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.415 ' CB ' HD23 ' B' ' 45' ' ' LEU . 55.1 t80 -76.41 -48.73 18.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.396 -0.365 . . . . 2.46 110.832 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.495 ' HB3' ' HG3' ' B' ' 37' ' ' LYS . . . -67.52 -25.11 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 1.18 111.987 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.22 6.18 61.69 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.935 -0.65 . . . . 0.61 112.374 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.516 HG11 HG22 ' B' ' 34' ' ' THR . 36.0 m -103.05 170.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.126 -0.324 . . . . 1.11 110.126 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.86 148.32 44.55 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.14 -1.059 . . . . 0.78 108.14 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.711 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -61.37 -23.29 65.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.205 0.526 . . . . 2.39 110.453 -178.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.83 -28.09 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 1.4 110.339 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.429 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 29.7 m -67.52 -31.51 71.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.65 -0.87 . . . . 1.15 108.65 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' B' ' 38' ' ' VAL . 16.2 t -73.98 -46.02 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 1.1 109.407 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.442 ' HA ' HD11 ' B' ' 6' ' ' LEU . 7.8 p -58.68 -32.58 69.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.149 0.5 . . . . 1.34 110.037 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 24.5 mtm180 -74.19 -47.74 33.67 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.489 -0.778 . . . . 3.18 110.155 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.422 HG22 HG11 ' B' ' 30' ' ' VAL . 21.8 t -57.43 -35.84 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.556 0.693 . . . . 1.18 109.828 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.45 -33.77 46.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.182 -0.917 . . . . 1.35 111.675 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 112.888 0.699 . . . . 1.68 112.888 -178.367 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.502 0.191 . . . . 1.63 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.422 HG11 HG22 ' B' ' 23' ' ' VAL . 45.5 t -127.58 107.89 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.33 . . . . 1.84 110.268 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -70.76 163.53 27.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.241 -0.436 . . . . 1.42 110.932 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 1.59 111.535 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 39.1 mmtm -58.1 -54.07 51.16 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.403 -0.362 . . . . 3.76 111.494 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.516 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -68.32 -35.21 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 1.34 111.029 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.89 -51.47 69.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 3.81 110.173 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.866 -0.606 . . . . 2.09 110.67 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' B' ' 13' ' ' ALA . 3.0 tppp? -60.34 -44.54 95.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 2.16 110.051 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.573 HG11 ' HE1' ' B' ' 42' ' ' MET . 69.9 t -73.22 -46.91 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.43 -0.804 . . . . 1.14 111.06 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -36.05 78.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.327 -0.397 . . . . 1.79 111.438 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.45 -41.53 93.32 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.628 -0.508 . . . . 1.38 109.628 178.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.4 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.573 ' HE1' HG11 ' B' ' 38' ' ' VAL . 67.2 mtt -60.58 -23.78 64.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.034 -0.53 . . . . 1.14 110.413 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -29.27 13.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.052 -0.522 . . . . 1.26 110.763 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 14.8 mm-40 -70.77 -52.24 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.129 0.49 . . . . 1.55 110.392 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.562 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -80.34 -19.79 45.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.866 -0.606 . . . . 1.58 110.075 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.453 ' O ' HG12 ' B' ' 48' ' ' ILE . 14.3 t-20 69.12 57.94 0.37 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.263 -1.384 . . . . 1.87 107.263 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.714 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -52.51 121.37 6.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.794 -1.548 . . . . 2.23 112.741 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.453 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.0 mm -122.33 96.23 46.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 114.892 -1.049 . . . . 1.97 108.622 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -35.2 123.05 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.178 3.252 . . . . 0.95 113.929 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.559 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.6 m-20 -55.49 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.49 -0.777 . . . . 1.64 111.191 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -58.47 -40.07 81.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.807 0.299 . . . . 5.46 111.807 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.1 m -73.75 -58.38 3.35 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.752 0.649 . . . . 0.92 112.752 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -37.8 83.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.467 0.914 . . . . 1.22 113.467 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 47.1 mt-30 -69.46 -51.21 38.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.611 -0.436 . . . . 1.49 111.432 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -55.91 -36.93 68.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.411 0.624 . . . . 3.16 109.856 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.65 -58.03 5.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.81 -1.086 . . . . 1.2 110.89 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 114.022 1.119 . . . . 1.12 114.022 -177.413 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo . . . . . 0 C--O 1.235 0.359 0 N-CA-C 111.091 -0.388 . . . . 1.67 111.091 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.775 HG12 ' HG ' ' A' ' 45' ' ' LEU . 92.6 t -80.14 134.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.995 -0.548 . . . . 1.27 110.25 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.43 176.58 5.07 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.731 -0.668 . . . . 1.07 110.678 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.97 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -68.16 -15.22 63.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.863 0.363 . . . . 1.11 110.391 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -76.41 -35.73 58.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.228 -0.656 . . . . 1.04 109.228 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.524 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.0 m-20 -66.12 -43.68 86.44 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.738 -0.665 . . . . 1.75 110.017 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.24 -39.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.425 -0.807 . . . . 1.07 110.0 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.37 92.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.289 -0.869 . . . . 1.08 110.406 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.87 -25.27 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 2.21 111.118 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 5.8 t80 -79.15 -38.68 35.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 2.38 110.749 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.91 -18.78 25.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.515 -0.311 . . . . 1.05 111.659 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 35.26 12.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.52 111.846 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.1 -166.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.486 -0.357 . . . . 1.12 110.695 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -100.44 156.72 17.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.26 -0.644 . . . . 1.37 109.26 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.97 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 50.2 p90 -59.79 -31.92 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.284 0.564 . . . . 2.19 110.421 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -38.49 87.76 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.632 -0.713 . . . . 1.64 110.311 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.632 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.9 m -65.68 -41.17 92.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.519 -0.549 . . . . 1.14 109.519 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.564 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.9 t -58.93 -52.61 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.806 -0.634 . . . . 1.02 110.389 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.0 t -60.49 -35.42 75.87 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.88 110.529 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.798 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.5 mtm180 -64.75 -31.69 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 2.6 110.596 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 19' ' ' THR . 85.0 t -81.04 -43.25 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 1.18 110.06 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.606 HG23 ' HE2' ' A' ' 47' ' ' TYR . 59.8 t -60.15 -42.51 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 1.08 110.624 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -83.64 -19.0 36.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 1.72 111.294 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 57.97 50.3 10.47 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.25 0.548 . . . . 5.44 110.28 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -159.06 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.257 -0.883 . . . . 2.79 111.188 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -83.42 170.46 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 1.87 110.28 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.33 31.33 19.31 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.194 0.598 . . . . 0.77 111.285 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.798 HG21 ' HB3' ' A' ' 22' ' ' ARG . 5.0 t -120.66 103.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 1.66 111.4 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -74.99 155.82 36.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.847 -0.615 . . . . 1.3 110.261 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -68.86 -27.06 65.48 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.791 -0.448 . . . . 1.73 109.791 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -55.41 -50.58 69.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.375 -0.829 . . . . 3.81 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.618 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -81.61 -33.35 31.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.318 -0.401 . . . . 1.21 110.723 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -52.96 -47.3 68.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 3.82 111.444 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 36.8 mt-10 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.126 0.787 . . . . 1.45 113.126 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.618 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.2 ptpt -85.84 -28.3 24.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.439 -0.505 . . . . 1.59 110.999 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 34' ' ' THR . 93.5 t -77.58 -42.36 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 1.07 110.101 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 40.2 mt-10 -64.48 -30.09 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.257 0.551 . . . . 1.59 109.661 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.19 -41.23 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 1.17 110.679 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.611 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -66.87 -44.39 81.07 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.117 -0.492 . . . . 1.08 111.364 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.0 ptp -66.49 -13.68 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.11 111.779 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.66 -12.03 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.273 0.559 . . . . 1.23 110.204 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 81.7 mm-40 -86.63 -61.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.485 -0.78 . . . . 1.36 111.392 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.775 ' HG ' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -78.88 -1.84 37.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.765 -0.652 . . . . 2.46 112.644 -179.108 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' N ' HD23 ' A' ' 45' ' ' LEU . 89.7 m-20 67.42 65.63 0.4 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.319 0.58 . . . . 2.45 110.747 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.742 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.6 t80 -70.35 134.39 47.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.681 -0.69 . . . . 2.01 111.14 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -109.47 105.58 57.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.772 -0.649 . . . . 1.83 110.445 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.13 104.24 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.434 2.089 . . . . 0.65 110.322 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -72.36 101.86 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.101 -0.5 . . . . 0.54 111.376 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.24 -18.07 60.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.815 -0.63 . . . . 5.89 110.401 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.576 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.3 OUTLIER -74.45 -40.93 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.254 -0.647 . . . . 0.83 109.254 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.2 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 1.18 109.193 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -69.32 -31.82 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.189 -0.914 . . . . 1.41 109.495 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -77.07 -8.26 57.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 2.53 109.938 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.85 -42.93 5.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 1.27 110.813 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.05 12.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.595 . . . . 1.24 112.122 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.819 -0.705 . . . . 1.14 113.315 -178.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.631 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.1 t . . . . . 0 CA--C 1.517 -0.322 0 CA-C-O 121.078 0.466 . . . . 1.33 110.124 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.494 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 18.7 p -96.65 172.67 7.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.697 -0.683 . . . . 1.12 110.646 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.573 ' HB2' ' HH ' ' B' ' 47' ' ' TYR . 0.1 OUTLIER -79.87 -8.32 59.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.64 -1.244 . . . . 1.37 107.64 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.452 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 24.4 m-85 -79.34 -39.04 33.7 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.612 -1.631 . . . . 2.18 109.735 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.25 -40.15 93.62 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.416 -0.811 . . . . 1.31 110.354 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.494 ' HA ' HD21 ' B' ' 45' ' ' LEU . 58.4 t -60.7 -38.34 78.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.504 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -67.31 -45.63 75.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.493 -0.776 . . . . 1.07 111.659 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.15 -43.91 95.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.744 -0.662 . . . . 2.34 111.421 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.528 ' CB ' HD23 ' B' ' 45' ' ' LEU . 56.7 t80 -65.68 -41.89 91.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 2.46 111.616 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -75.51 -19.21 59.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 1.18 111.812 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.27 21.46 54.67 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.025 -0.607 . . . . 0.61 112.896 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.48 179.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 110.261 -0.274 . . . . 1.11 110.261 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -78.97 158.21 28.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.444 -0.947 . . . . 0.78 108.444 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.614 ' HA ' ' HB1' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -65.12 -20.04 66.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.088 0.47 . . . . 2.39 110.798 -179.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 10.6 mt-30 -81.81 -20.68 38.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.23 -0.441 . . . . 1.4 110.514 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.433 ' O ' HG22 ' B' ' 23' ' ' VAL . 7.9 m -64.16 -33.9 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.788 -1.189 . . . . 1.15 107.788 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.425 HG11 ' CG1' ' B' ' 38' ' ' VAL . 39.8 t -76.99 -39.97 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 114.181 -1.372 . . . . 1.1 108.65 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 6.7 t -55.89 -40.06 72.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.47 -0.786 . . . . 1.34 110.619 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 37.9 mmt180 -65.45 -41.72 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.574 . . . . 3.18 110.665 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.672 HG23 HG13 ' B' ' 30' ' ' VAL . 46.1 t -70.55 -39.21 75.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.008 -0.542 . . . . 1.18 110.407 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.66 -39.96 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.697 -0.683 . . . . 1.35 110.807 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.912 0.386 . . . . 1.68 110.059 179.552 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.841 0.353 . . . . 1.63 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.672 HG13 HG23 ' B' ' 23' ' ' VAL . 6.4 t -127.75 124.68 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.661 -0.496 . . . . 1.84 109.661 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.81 164.44 21.65 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.883 -0.414 . . . . 1.42 109.883 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.65 92.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.399 . . . . 1.59 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -60.78 -45.41 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.689 -0.687 . . . . 3.76 111.672 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -43.41 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.086 0.402 . . . . 1.34 112.086 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.68 -38.64 82.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.842 0.353 . . . . 3.81 110.703 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.16 -41.75 63.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 2.09 110.602 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.69 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 25.4 ttpt -65.5 -44.48 86.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 2.16 111.65 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' B' ' 42' ' ' MET . 69.5 t -64.74 -51.61 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.376 . . . . 1.14 111.774 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.37 -32.84 73.7 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.199 -0.2 . . . . 1.79 111.395 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.35 -36.17 66.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 1.38 110.427 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.432 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -64.94 -29.07 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 1.14 110.643 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.488 ' HE2' HG13 ' B' ' 38' ' ' VAL . 64.4 mtt -60.62 -21.75 63.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.718 -0.674 . . . . 1.14 111.157 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.43 18.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 1.26 110.961 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.82 -49.03 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 1.55 110.902 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.573 ' O ' HG22 ' B' ' 4' ' ' VAL . 1.1 mm? -83.36 -14.55 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 1.58 110.322 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.444 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.8 t-20 68.06 55.57 0.55 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.308 -1.367 . . . . 1.87 107.308 -176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.631 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -57.01 116.89 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.015 -1.448 . . . . 2.23 112.655 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 46' ' ' ASN . 66.1 mt -126.27 94.08 41.86 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 114.402 -1.272 . . . . 1.97 107.84 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -32.03 127.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 124.697 3.598 . . . . 0.95 114.973 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.3 m120 -52.56 99.55 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.086 0.866 . . . . 1.64 110.095 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.88 -28.99 69.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.939 0.399 . . . . 5.46 111.252 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.9 m -83.04 -58.42 2.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.086 0.402 . . . . 0.92 112.086 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.05 75.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 1.22 113.645 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 69.4 mt-30 -74.51 -40.9 61.48 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.35 0.523 . . . . 1.49 112.275 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.02 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.166 -0.679 . . . . 3.16 109.166 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.83 -68.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.893 -1.048 . . . . 1.2 110.135 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 1.12 113.741 -178.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 120.968 0.32 . . . . 1.67 111.7 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 1.27 109.89 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 1.07 110.129 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.887 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 1.11 110.724 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 1.07 109.927 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 1.08 111.276 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 2.38 111.066 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 1.05 111.243 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 1.12 109.997 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.37 109.175 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.887 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 2.19 110.157 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.64 109.49 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.14 109.71 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' HG21 ' A' ' 24' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 1.02 109.744 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.88 109.977 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.6 110.354 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 1.18 109.712 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 1.08 112.687 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 5.44 111.104 -178.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.79 112.094 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.87 106.701 179.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.77 111.201 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.66 109.55 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.73 111.249 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.81 110.569 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 1.21 110.957 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.82 110.693 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 1.59 110.921 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 1.07 110.74 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.59 110.332 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 1.17 110.61 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 1.08 111.161 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 1.11 111.123 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 1.23 110.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.36 110.435 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 12' ' ' TYR . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 2.46 111.484 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.45 109.414 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 2.01 112.179 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.83 109.988 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.65 111.998 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54 111.287 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.89 110.399 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.83 109.903 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 1.18 109.945 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.41 109.591 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 55' ' ' GLN . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.53 110.442 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD22 HD23 ' B' ' 56' ' ' LEU . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.27 111.062 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 1.24 110.405 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.14 112.047 178.803 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.602 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 58.5 t . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 121.081 0.467 . . . . 1.33 109.781 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.419 HG21 HD22 ' B' ' 50' ' ' ASN . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 1.12 110.952 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 1.37 108.102 178.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 2.18 109.916 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.31 109.966 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.565 ' HA ' HD22 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 1.05 109.713 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 1.07 111.388 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.34 111.354 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.587 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 2.46 111.894 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 1.18 111.762 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.61 112.242 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 1.11 110.242 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.78 108.313 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 2.39 110.39 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 1.4 110.51 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.581 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 1.15 109.333 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 1.1 108.188 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.34 110.985 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.581 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 3.18 111.322 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.664 HG21 HG12 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 1.18 110.537 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 1.35 112.271 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.68 114.185 -178.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.63 115.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.664 HG12 HG21 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.84 108.828 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.42 111.24 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.59 111.886 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.76 111.19 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.449 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 1.34 111.285 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.534 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.81 110.579 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.09 110.583 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 2.16 110.419 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.14 110.7 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 1.38 110.301 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 1.14 110.595 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.439 ' HE2' HG12 ' B' ' 38' ' ' VAL . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 1.14 110.437 179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.26 110.871 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 1.58 110.845 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.87 107.232 -177.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.561 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 2.23 113.139 -177.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.602 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.97 107.726 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.95 115.046 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.668 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.64 110.227 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 5.46 112.831 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.92 112.577 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 1.22 113.353 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 3.16 109.229 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 56' ' ' LEU . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 1.2 110.821 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.12 112.711 -178.573 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 CA-C-O 120.915 0.298 . . . . 1.67 112.053 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.759 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 21.4 t -74.95 134.64 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.983 -0.747 . . . . 1.27 108.983 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.69 170.37 7.92 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.389 -0.369 . . . . 1.07 110.651 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.818 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.66 -15.98 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 1.11 110.201 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.426 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 68.0 m-85 -75.6 -41.15 55.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.066 -0.716 . . . . 1.04 109.066 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.13 -39.36 89.74 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.033 -0.53 . . . . 1.75 109.978 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.47 -43.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.362 -0.836 . . . . 1.07 110.054 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.7 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.235 -0.893 . . . . 1.08 110.932 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 49.0 mt-10 -70.73 -35.39 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.138 -0.483 . . . . 2.21 111.268 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -78.99 -36.98 40.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 2.38 111.608 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB1' HG23 ' A' ' 15' ' ' VAL . . . -85.35 -12.17 52.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.814 0.34 . . . . 1.05 111.036 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.11 39.3 53.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.068 -0.813 . . . . 0.52 111.068 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG23 ' HB1' ' A' ' 13' ' ' ALA . 22.1 m -128.64 -173.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.687 0.279 . . . . 1.12 110.273 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -94.08 151.21 19.67 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.254 -0.647 . . . . 1.37 109.254 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.818 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 52.2 p90 -57.61 -31.87 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 2.19 110.664 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -33.93 76.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 1.64 110.593 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' HG21 ' A' ' 23' ' ' VAL . 75.9 m -66.53 -41.39 88.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.152 -0.684 . . . . 1.14 109.152 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' A' ' 38' ' ' VAL . 95.8 t -61.04 -49.39 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.525 -0.761 . . . . 1.02 110.331 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -59.26 -35.45 73.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.992 -0.549 . . . . 0.88 110.82 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.604 ' HB3' HG23 ' A' ' 30' ' ' VAL . 55.3 mtt180 -65.03 -28.11 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 2.6 110.86 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 19' ' ' THR . 58.6 t -85.58 -47.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.107 0.479 . . . . 1.18 110.689 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.594 HG22 ' HE2' ' A' ' 47' ' ' TYR . 54.0 t -57.19 -49.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.264 -0.88 . . . . 1.08 112.815 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -104.04 3.73 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.638 0.607 . . . . 1.72 112.638 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 57.96 57.72 3.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.406 0.622 . . . . 5.44 110.429 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 22' ' ' ARG . . . -89.14 20.14 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 2.79 111.562 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m 64.66 -171.52 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.943 -0.571 . . . . 1.87 110.775 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.584 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 2.3 m170 61.21 30.98 19.55 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.106 0.41 . . . . 0.77 112.106 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -131.04 122.38 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.228 0.537 . . . . 1.66 111.056 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 p -84.27 166.45 17.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.426 -0.806 . . . . 1.3 110.118 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.79 -51.25 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.872 0.693 . . . . 1.73 112.872 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -53.41 -49.54 67.08 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.063 0.394 . . . . 3.81 112.063 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.604 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.98 -40.74 75.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.161 -0.472 . . . . 1.21 111.931 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 35' ' ' ARG . 29.3 ttp-105 -59.97 -43.9 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 3.82 110.994 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.0 -40.1 72.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 1.45 112.288 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.9 ptpt -69.43 -31.16 69.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.818 0.342 . . . . 1.59 111.143 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 20' ' ' VAL . 74.4 t -76.25 -40.5 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.334 -0.394 . . . . 1.07 110.082 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 2.7 mt-10 -67.06 -29.2 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.809 -0.632 . . . . 1.59 110.009 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.86 -40.61 47.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.858 -0.61 . . . . 1.17 110.373 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.38 86.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.049 -0.523 . . . . 1.08 111.412 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.715 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.7 ptp -70.77 -10.59 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.443 -0.344 . . . . 1.11 111.206 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.73 17.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.198 0.523 . . . . 1.23 110.099 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -71.55 -50.21 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.778 0.799 . . . . 1.36 110.612 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -7.15 58.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.418 -1.264 . . . . 2.46 111.18 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 59.87 62.25 1.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.027 0.917 . . . . 2.45 109.635 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.534 -1.212 . . . . 2.01 111.267 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.68 112.44 53.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.451 -0.795 . . . . 1.83 110.276 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.88 139.61 88.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.394 2.063 . . . . 0.65 112.062 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -99.67 110.11 22.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.196 0.522 . . . . 0.54 110.765 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -77.71 -23.71 49.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 5.89 111.187 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -36.05 62.52 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.42 -0.585 . . . . 0.83 109.42 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.1 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.432 -0.804 . . . . 1.18 109.048 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.83 -38.64 86.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.108 -0.951 . . . . 1.41 109.66 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.83 -32.23 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 2.53 110.243 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -78.21 -50.13 12.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.655 -0.702 . . . . 1.27 110.616 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.93 96.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.534 -0.757 . . . . 1.24 111.818 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.99 -0.624 . . . . 1.14 112.073 179.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.59 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 29.8 t . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.201 -0.666 . . . . 1.33 109.201 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.46 ' O ' HG21 ' B' ' 9' ' ' VAL . 26.8 p -90.61 173.27 8.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.855 -0.611 . . . . 1.12 110.515 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.551 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -12.47 59.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.496 -1.298 . . . . 1.37 107.496 178.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.611 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 19.3 m-85 -77.13 -47.04 21.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.872 -1.513 . . . . 2.18 108.724 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -60.61 -35.78 76.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.61 -0.723 . . . . 1.31 110.31 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.46 HG21 ' O ' ' B' ' 5' ' ' THR . 94.5 t -63.98 -40.9 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.346 0.593 . . . . 1.05 110.091 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.58 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.36 -46.81 69.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.463 -0.79 . . . . 1.07 111.621 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.1 mt-10 -61.98 -35.87 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 2.34 111.053 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.514 ' CD1' HD22 ' B' ' 45' ' ' LEU . 83.2 t80 -67.69 -40.14 84.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 2.46 110.874 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -81.14 -10.52 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 1.18 111.825 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.38 56.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.077 -0.582 . . . . 0.61 112.463 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.99 168.04 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.062 -0.347 . . . . 1.11 110.062 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.3 p -68.3 147.74 51.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.423 -0.954 . . . . 0.78 108.423 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.58 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -59.84 -25.97 65.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 2.39 110.581 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.29 -20.33 60.84 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.415 -0.357 . . . . 1.4 110.704 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.472 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 50.6 m -65.65 -36.66 84.31 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.135 -1.061 . . . . 1.15 108.135 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' B' ' 10' ' ' ALA . 41.2 t -72.17 -44.9 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.946 -1.025 . . . . 1.1 108.708 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -55.37 -35.68 65.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.013 -0.54 . . . . 1.34 110.889 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.735 ' HD2' ' HB2' ' B' ' 29' ' ' HIS . 47.3 mtm-85 -68.64 -41.11 79.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 3.18 110.508 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 19' ' ' THR . 48.4 t -72.69 -39.89 60.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.271 0.558 . . . . 1.18 110.181 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.02 -34.16 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 1.35 111.059 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 1.68 111.049 -179.522 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.735 ' HB2' ' HD2' ' B' ' 22' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.043 0.449 . . . . 1.63 110.182 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.586 HG13 ' HB ' ' B' ' 34' ' ' THR . 0.0 OUTLIER -136.66 130.79 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 1.84 109.833 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 37.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.679 0.992 . . . . 1.42 113.679 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.11 -57.64 0.47 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.87 0.868 . . . . 1.59 112.033 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -56.94 -38.55 73.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 3.76 110.148 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.586 ' HB ' HG13 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -62.14 -44.76 95.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.662 -0.699 . . . . 1.34 110.501 179.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -59.87 -50.7 72.76 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.192 0.52 . . . . 3.81 110.31 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.11 -41.07 87.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.124 -0.944 . . . . 2.09 111.608 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 34.4 ttpt -70.24 -40.09 74.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.738 0.304 . . . . 2.16 110.813 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.542 HG12 ' HE2' ' B' ' 42' ' ' MET . 55.7 t -66.93 -47.93 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 1.14 110.185 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.24 -32.42 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 1.79 110.347 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.38 -41.55 80.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.681 -0.489 . . . . 1.38 109.681 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' B' ' 9' ' ' VAL . . . -60.78 -33.61 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 1.14 110.601 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.542 ' HE2' HG12 ' B' ' 38' ' ' VAL . 67.8 mtt -63.81 -22.76 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.539 -0.755 . . . . 1.14 110.708 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.68 -28.14 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 1.26 111.358 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 78.5 mm-40 -68.41 -52.24 35.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.353 0.597 . . . . 1.55 110.708 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -90.24 -6.02 55.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 1.58 111.714 -178.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 61.37 67.16 0.8 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.407 -0.961 . . . . 1.87 108.407 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.59 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.9 t80 -58.16 110.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.516 -1.22 . . . . 2.23 112.524 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -109.64 95.95 21.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.965 -1.124 . . . . 1.97 107.965 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -35.41 130.06 0.28 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.165 3.243 . . . . 0.95 114.116 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.68 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.1 m120 -44.98 108.83 0.13 Allowed 'General case' 0 C--O 1.222 -0.351 0 O-C-N 124.21 0.943 . . . . 1.64 110.443 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -72.0 -38.93 69.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.689 0.28 . . . . 5.46 111.225 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 20.7 m -83.45 -53.66 5.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.92 112.046 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.27 84.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.707 1.003 . . . . 1.22 113.707 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.68 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 68.8 mt-30 -73.44 -31.9 64.08 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.373 -0.531 . . . . 1.49 111.43 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.44 -28.83 64.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.714 0.769 . . . . 3.16 109.176 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -75.05 -67.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.472 -1.24 . . . . 1.2 110.193 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.041 -0.981 . . . . 1.12 112.505 -178.539 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.127 0.386 . . . . 1.67 111.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 34.1 t -74.74 142.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 1.27 110.091 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.26 168.08 9.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.413 -0.358 . . . . 1.07 110.494 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.698 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -65.32 -18.62 65.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 1.11 110.672 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -76.51 -34.1 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.508 -0.553 . . . . 1.04 109.508 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -36.25 73.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.76 -0.655 . . . . 1.75 109.642 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.58 -44.67 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.3 -0.864 . . . . 1.07 110.119 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.25 97.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.533 -0.758 . . . . 1.08 111.123 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -66.71 -30.79 71.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 2.21 111.535 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.403 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 41.7 t80 -81.14 -33.02 33.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 2.38 111.108 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 15' ' ' VAL . . . -85.41 -19.35 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.347 . . . . 1.05 110.956 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.6 25.63 35.06 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.909 -0.876 . . . . 0.52 110.909 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG23 ' HB1' ' A' ' 13' ' ' ALA . 33.8 m -121.65 -167.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.995 -0.372 . . . . 1.12 109.995 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 m -110.01 155.24 22.07 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.356 -0.609 . . . . 1.37 109.356 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 46.0 p90 -55.17 -31.04 61.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.361 . . . . 2.19 111.144 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.502 HE21 ' CZ ' ' A' ' 22' ' ' ARG . 52.7 tp60 -64.1 -33.98 77.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.64 109.794 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' HG21 ' A' ' 23' ' ' VAL . 60.9 m -75.67 -37.17 59.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 1.14 109.837 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 24' ' ' VAL . 80.4 t -60.83 -55.17 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.849 -0.614 . . . . 1.02 110.525 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -63.46 -28.74 70.17 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.849 0.357 . . . . 0.88 110.478 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.755 ' HG3' HG22 ' A' ' 30' ' ' VAL . 19.1 tpp180 -61.46 -33.73 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.275 -0.639 . . . . 2.6 109.275 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' A' ' 35' ' ' ARG . 85.2 t -86.4 -46.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.172 -0.922 . . . . 1.18 110.452 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 20' ' ' VAL . 73.6 t -56.95 -42.38 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 115.886 -0.597 . . . . 1.08 111.664 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.51 -15.84 55.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 1.72 111.1 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 57.76 66.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.211 0.529 . . . . 5.44 110.559 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.67 -152.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 2.79 110.873 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -91.14 -177.51 4.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.603 -0.517 . . . . 1.87 109.603 179.081 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' A' ' 28' ' ' SER . 1.5 m170 61.71 33.12 18.15 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.157 0.429 . . . . 0.77 112.157 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.755 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -122.03 120.93 62.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.466 -0.494 . . . . 1.66 111.843 -179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.5 p -93.91 149.55 21.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.633 -0.712 . . . . 1.3 109.676 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.84 -44.51 82.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.106 0.254 . . . . 1.73 111.549 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -50.65 -49.8 56.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 3.81 112.414 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.563 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -79.49 -34.2 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.647 -0.421 . . . . 1.21 111.749 -179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' A' ' 23' ' ' VAL . 44.3 ttp180 -61.79 -36.68 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 3.82 110.454 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 43.7 mt-10 -73.35 -25.9 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.494 0.553 . . . . 1.45 112.494 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.7 ptpt -91.57 -28.17 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.604 -0.438 . . . . 1.59 111.31 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 34' ' ' THR . 78.6 t -72.16 -43.73 65.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.883 0.373 . . . . 1.07 110.532 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 22.8 mt-10 -69.03 -23.35 64.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.179 0.514 . . . . 1.59 110.258 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.81 -41.61 29.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.17 110.274 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -66.73 -40.66 88.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 1.08 111.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -71.69 -10.32 59.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 1.11 111.156 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.34 -21.19 19.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 1.23 110.122 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 18.1 mm-40 -81.35 -51.07 8.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.913 0.863 . . . . 1.36 110.965 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -82.57 -8.51 59.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.41 -1.268 . . . . 2.46 111.621 -178.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.97 61.93 0.91 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.678 0.751 . . . . 2.45 109.247 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.701 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.9 t80 -76.33 130.67 38.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 2.01 111.732 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -117.33 107.25 45.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 1.83 109.751 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.16 121.66 9.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.65 112.251 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -74.27 113.75 11.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.196 -0.456 . . . . 0.54 111.138 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 16.7 mmt180 -77.53 -27.93 51.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 5.89 111.615 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.642 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.34 -39.77 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.389 0.614 . . . . 0.83 109.569 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -33.73 75.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.358 -0.837 . . . . 1.18 109.499 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.44 -36.49 74.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.466 -0.788 . . . . 1.41 109.444 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -79.04 5.44 11.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.4 -0.818 . . . . 2.53 110.693 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.2 tp -116.55 -48.43 2.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.401 -0.818 . . . . 1.27 109.626 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -51.02 62.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.07 -0.968 . . . . 1.24 112.373 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.337 -0.935 . . . . 1.14 112.98 -179.142 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 92.1 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 121.308 0.575 . . . . 1.33 110.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.9 p -99.45 177.73 5.09 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.545 -0.752 . . . . 1.12 110.499 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.56 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -78.12 -11.6 59.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.847 -1.168 . . . . 1.37 107.847 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.53 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 26.1 m-85 -75.16 -40.63 59.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.797 -1.547 . . . . 2.18 110.112 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' HG13 ' B' ' 4' ' ' VAL . 21.8 m-20 -64.87 -40.11 94.62 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 1.31 110.4 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' HD22 ' B' ' 45' ' ' LEU . 52.4 t -60.52 -39.82 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 1.05 110.676 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -70.87 -45.53 64.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.475 -0.784 . . . . 1.07 111.502 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -42.57 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 2.34 111.258 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.604 ' CB ' HD21 ' B' ' 45' ' ' LEU . 76.5 t80 -66.69 -41.67 87.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 2.46 111.091 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.413 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -74.57 -13.23 60.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.963 -0.562 . . . . 1.18 111.81 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.99 77.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.61 112.372 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' B' ' 13' ' ' ALA . 26.9 m -114.37 173.49 3.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 110.374 -0.232 . . . . 1.11 110.374 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 86.5 p -72.36 155.73 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.744 -0.835 . . . . 0.78 108.744 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.56 ' HD2' ' CD2' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -67.05 -18.43 65.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.503 0.668 . . . . 2.39 109.875 -179.258 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 21.5 mt-30 -81.33 -19.88 41.88 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.675 -0.693 . . . . 1.4 110.16 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -66.74 -36.03 81.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.978 -1.119 . . . . 1.15 107.978 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.9 t -76.09 -38.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.494 -1.23 . . . . 1.1 108.946 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.2 t -55.18 -35.54 64.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.276 -0.875 . . . . 1.34 110.415 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' B' ' 29' ' ' HIS . 24.8 mtt180 -68.69 -48.22 64.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 3.18 110.643 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.52 -36.4 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.41 0.624 . . . . 1.18 110.08 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.457 HG23 HD11 ' B' ' 6' ' ' LEU . 13.1 t -70.64 -35.02 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 1.35 110.721 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 1.68 111.061 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.457 ' HB2' ' HD3' ' B' ' 22' ' ' ARG . 2.5 m170 . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 120.514 0.197 . . . . 1.63 111.447 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 122.71 56.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.79 0.328 . . . . 1.84 110.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 158.41 30.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.876 -0.602 . . . . 1.42 110.206 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -45.42 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.854 0.316 . . . . 1.59 111.854 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.93 -42.23 97.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.542 0.571 . . . . 3.76 112.542 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -79.89 -42.42 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.757 -0.377 . . . . 1.34 111.793 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -56.44 -50.56 71.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 3.81 111.286 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -71.42 -26.6 62.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 2.09 111.21 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.48 -38.94 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 2.16 110.117 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.427 HG13 ' HE2' ' B' ' 42' ' ' MET . 51.5 t -60.61 -49.77 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 1.14 110.527 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.73 -36.03 79.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.595 -0.73 . . . . 1.79 110.802 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.44 -40.56 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 1.38 110.781 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' B' ' 9' ' ' VAL . . . -61.72 -32.42 72.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.912 -0.585 . . . . 1.14 110.683 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.427 ' HE2' HG13 ' B' ' 38' ' ' VAL . 66.0 mtt -59.57 -25.71 64.8 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.87 -0.605 . . . . 1.14 110.667 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.37 -21.0 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 1.26 111.253 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.81 -46.52 18.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.55 110.586 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.604 HD21 ' CB ' ' B' ' 12' ' ' TYR . 1.0 OUTLIER -81.98 -16.21 51.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 1.58 110.422 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.487 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.5 t-20 68.82 61.29 0.34 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.074 -1.454 . . . . 1.87 107.074 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.6 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.3 t80 -55.0 108.37 0.4 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.25 -1.341 . . . . 2.23 112.554 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.594 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 35.1 mm -113.64 89.54 15.92 Favored Pre-proline 0 N--CA 1.453 -0.309 0 N-CA-C 107.278 -1.379 . . . . 1.97 107.278 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.452 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 11.7 Cg_exo -27.24 126.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 1 C-N-CA 125.412 4.075 . . . . 0.95 115.607 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -74.38 68.4 1.54 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.341 -0.845 . . . . 1.64 108.771 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -45.6 -35.36 3.96 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 114.041 1.126 . . . . 5.46 114.041 -177.252 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.642 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 90.6 m -62.8 -49.02 76.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.648 -0.421 . . . . 0.92 111.601 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.41 -27.5 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 1.22 111.566 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.452 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 60.0 mt-30 -75.45 -35.68 60.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.784 0.29 . . . . 1.49 111.784 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -69.16 -39.72 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.182 -1.044 . . . . 3.16 108.182 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.6 tp -65.12 -64.98 0.73 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.902 -1.499 . . . . 1.2 110.888 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.12 113.308 -177.692 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 CA-C-O 121.183 0.41 . . . . 1.67 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.682 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 20.2 t -76.34 132.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.71 -0.677 . . . . 1.27 109.933 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.8 171.18 7.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.932 -0.576 . . . . 1.07 110.324 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.921 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -66.47 -15.72 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 1.11 110.44 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -74.54 -36.13 63.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.986 -0.746 . . . . 1.04 108.986 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.52 -40.35 85.12 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.401 -0.818 . . . . 1.75 110.035 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 t -66.73 -41.73 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.492 -0.777 . . . . 1.07 109.809 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.27 88.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.239 -0.891 . . . . 1.08 110.719 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.83 -29.45 63.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.89 0.376 . . . . 2.21 111.216 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.641 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.9 t80 -76.85 -36.18 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 2.38 111.147 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.47 -13.98 31.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.873 0.368 . . . . 1.05 111.412 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.39 33.75 38.38 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.359 -0.696 . . . . 0.52 111.359 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.4 m -123.71 -164.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.806 -0.442 . . . . 1.12 109.806 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 p -104.53 154.94 19.27 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.534 -0.543 . . . . 1.37 109.534 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.921 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.1 p90 -62.45 -27.68 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.168 0.509 . . . . 2.19 109.676 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.3 tp60 -65.74 -41.98 91.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.863 -0.791 . . . . 1.64 108.863 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.5 m -61.91 -45.26 94.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.7 -0.682 . . . . 1.14 109.343 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 24' ' ' VAL . 68.9 t -56.85 -49.17 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.35 -0.841 . . . . 1.02 110.79 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.6 t -62.31 -34.66 77.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 0.88 110.5 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 89.5 mtt-85 -69.49 -23.92 63.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 2.6 110.449 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 35' ' ' ARG . 94.2 t -85.27 -51.53 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.186 0.517 . . . . 1.18 110.224 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.501 HG21 ' HE2' ' A' ' 47' ' ' TYR . 48.8 t -60.37 -46.93 94.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 1.08 112.45 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -100.08 1.37 42.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 54.44 61.14 3.14 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.321 0.581 . . . . 5.44 109.866 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -92.58 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.593 -0.73 . . . . 2.79 111.898 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 5.0 t 60.76 -174.6 0.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.219 -0.446 . . . . 1.87 110.632 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 59.68 33.57 21.93 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.296 0.239 . . . . 0.77 111.098 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -128.23 130.45 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.928 0.394 . . . . 1.66 111.191 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -101.21 155.8 17.81 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.577 -0.738 . . . . 1.3 109.243 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.5 -34.38 70.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 1.73 111.278 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 74.3 tttt -54.9 -44.69 74.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.84 -0.618 . . . . 3.81 111.795 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -93.51 -34.43 13.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.587 0.588 . . . . 1.21 112.587 -179.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.578 ' HG3' HG12 ' A' ' 23' ' ' VAL . 56.5 ttt180 -58.41 -43.3 88.58 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.029 0.381 . . . . 3.82 112.029 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 32.8 mt-10 -70.36 -27.19 64.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.649 0.611 . . . . 1.45 112.649 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 34' ' ' THR . 16.3 ptpt -81.53 -28.76 33.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.246 -0.582 . . . . 1.59 110.111 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 34' ' ' THR . 84.5 t -73.79 -42.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.495 . . . . 1.07 109.72 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 4.2 mm-40 -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 1.59 109.817 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.37 -43.51 27.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.156 -0.929 . . . . 1.17 110.873 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.65 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -60.61 -44.14 96.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 1.08 111.79 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.5 ptp -68.8 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 1.11 111.462 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.61 -10.9 30.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.155 0.502 . . . . 1.23 109.769 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.1 mm-40 -87.25 -57.11 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 1.36 111.186 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HG ' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -86.39 3.21 44.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.429 -0.805 . . . . 2.46 112.536 -179.093 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m120 62.16 66.84 0.77 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.585 0.553 . . . . 2.45 111.481 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.686 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.2 t80 -78.06 136.76 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.978 -0.556 . . . . 2.01 111.212 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.92 113.74 32.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 1.83 110.452 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.02 122.09 10.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 0.65 111.469 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -80.0 108.46 13.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.54 112.049 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -72.58 -22.77 60.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 5.89 110.892 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.84 -42.65 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.495 0.664 . . . . 0.83 109.714 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.12 64.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.248 -0.887 . . . . 1.18 109.82 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -65.48 -40.35 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.393 -0.821 . . . . 1.41 110.177 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.69 -33.71 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.8 -0.636 . . . . 2.53 110.486 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.94 -49.65 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.27 111.173 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.9 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 1.24 110.768 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 111.158 -0.777 . . . . 1.14 111.158 178.72 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.678 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 48.4 t . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.261 -0.274 . . . . 1.33 110.261 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.567 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 16.2 p -93.0 166.86 12.16 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.373 -0.603 . . . . 1.12 109.373 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' B' ' 47' ' ' TYR . 0.4 OUTLIER -81.1 -5.81 58.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.235 -1.024 . . . . 1.37 108.235 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -81.18 -31.06 34.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.225 -1.352 . . . . 2.18 109.263 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.54 -32.01 69.28 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.362 -0.836 . . . . 1.31 109.119 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' B' ' 45' ' ' LEU . 46.7 t -64.67 -42.7 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.979 -1.009 . . . . 1.05 110.362 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' B' ' 20' ' ' VAL . . . -65.59 -50.54 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 1.07 111.586 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.64 -37.95 88.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 2.34 111.845 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.511 ' CB ' HD23 ' B' ' 45' ' ' LEU . 89.9 t80 -66.88 -49.2 66.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.693 0.283 . . . . 2.46 111.017 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.638 ' HB3' ' HG2' ' B' ' 37' ' ' LYS . . . -63.63 -29.4 70.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 1.18 111.342 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.07 59.85 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.589 -0.815 . . . . 0.61 111.778 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.93 164.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.042 -0.355 . . . . 1.11 110.042 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -67.97 149.15 50.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.741 -0.837 . . . . 0.78 108.741 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.461 ' OH ' HD22 ' B' ' 6' ' ' LEU . 64.9 t80 -59.18 -30.89 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 2.39 110.831 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.45 -34.09 77.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 1.4 110.449 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.0 m -59.8 -33.87 72.29 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.637 0.732 . . . . 1.15 109.064 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' B' ' 10' ' ' ALA . 62.6 t -71.76 -52.29 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.293 -0.867 . . . . 1.1 108.946 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.5 t -48.79 -34.5 12.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.818 -0.628 . . . . 1.34 111.307 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 41.3 mmt180 -58.82 -59.55 5.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 3.18 110.492 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -60.76 -39.56 82.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.925 -0.58 . . . . 1.18 111.343 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.06 -34.51 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.716 . . . . 1.35 111.238 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 1.68 111.371 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.703 0.287 . . . . 1.63 111.377 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -134.39 131.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.882 0.372 . . . . 1.84 110.538 178.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.02 167.74 10.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.891 -0.595 . . . . 1.42 109.928 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.16 71.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 1.59 111.196 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.473 ' O ' ' HE2' ' B' ' 37' ' ' LYS . 52.4 mtmt -62.31 -31.29 71.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 3.76 111.982 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.454 ' O ' HG22 ' B' ' 38' ' ' VAL . 2.9 p -103.52 -48.53 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.319 0.488 . . . . 1.34 112.319 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 33.0 ttp180 -56.0 -52.93 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.709 0.29 . . . . 3.81 111.604 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -65.02 -34.26 78.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.128 0.489 . . . . 2.09 110.277 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.638 ' HG2' ' HB3' ' B' ' 13' ' ' ALA . 24.3 ttmm -62.4 -43.04 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.752 -0.658 . . . . 2.16 111.078 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.524 HG11 ' HE1' ' B' ' 42' ' ' MET . 66.4 t -68.47 -48.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.14 110.817 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.34 -42.41 86.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.429 -0.351 . . . . 1.79 110.736 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.57 -37.28 79.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.069 -0.514 . . . . 1.38 111.017 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.4 73.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.426 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.524 ' HE1' HG11 ' B' ' 38' ' ' VAL . 66.5 mtt -61.44 -25.24 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 1.14 110.52 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.87 -29.98 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 1.26 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 47.8 mm-40 -70.26 -50.4 40.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.2 0.524 . . . . 1.55 110.166 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.522 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.5 OUTLIER -77.4 -16.69 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.6 -0.727 . . . . 1.58 110.67 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.38 49.82 2.42 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 106.523 -1.658 . . . . 1.87 106.523 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.2 t80 -53.95 122.32 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 113.507 -1.678 . . . . 2.23 112.775 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 mm -106.58 102.83 43.57 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 107.41 -1.33 . . . . 1.97 107.41 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.483 ' HA ' ' CZ ' ' B' ' 47' ' ' TYR . 21.7 Cg_exo -34.27 125.45 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 124.075 3.183 . . . . 0.95 114.672 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.567 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 5.7 m-20 -73.86 59.11 0.67 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.938 -1.028 . . . . 1.64 110.104 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -48.66 -39.65 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.112 0.782 . . . . 5.46 113.112 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.5 m -59.75 -53.28 59.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.779 0.263 . . . . 0.92 111.539 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.68 52.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.591 -0.277 . . . . 1.22 111.447 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.4 -41.49 56.08 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.431 0.16 . . . . 1.49 111.431 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -64.29 -38.75 92.16 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.487 -0.931 . . . . 3.16 108.487 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.83 -61.13 2.49 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 113.998 -1.455 . . . . 1.2 109.657 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.411 -0.813 . . . . 1.12 111.373 -179.671 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 N--CA 1.462 -0.357 0 CA-C-O 121.127 0.386 . . . . 1.67 111.555 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.708 HG12 ' HG ' ' A' ' 45' ' ' LEU . 26.1 t -81.56 130.99 34.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.798 -0.637 . . . . 1.27 109.646 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.31 169.15 8.72 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.894 -0.594 . . . . 1.07 110.372 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.848 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.73 -16.9 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.525 -0.307 . . . . 1.11 110.353 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -73.71 -35.06 65.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.475 -0.565 . . . . 1.04 109.475 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.67 77.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 1.75 109.884 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.75 -42.13 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 1.07 110.294 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.22 85.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.831 . . . . 1.08 110.125 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.72 -34.58 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 2.21 110.245 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 3.6 t80 -70.24 -40.14 74.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.201 -0.454 . . . . 2.38 111.451 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.13 -15.03 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 1.05 111.354 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.49 36.53 33.67 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.098 -0.801 . . . . 0.52 111.098 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.47 -162.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.045 -0.577 . . . . 1.12 110.248 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 p -104.62 157.35 17.24 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.018 -0.734 . . . . 1.37 109.018 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.848 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 45.3 p90 -65.79 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.233 -0.587 . . . . 2.19 109.514 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.9 tp60 -66.79 -39.78 87.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.57 -0.9 . . . . 1.64 108.57 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.3 m -62.49 -44.96 95.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 1.14 109.546 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' HA ' HG12 ' A' ' 38' ' ' VAL . 76.6 t -56.31 -50.81 69.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.183 -0.917 . . . . 1.02 110.603 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -61.41 -37.64 84.2 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.211 -0.45 . . . . 0.88 110.858 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.564 ' HB3' HG21 ' A' ' 30' ' ' VAL . 72.4 mtt-85 -63.23 -30.71 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.397 -0.365 . . . . 2.6 110.818 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 19' ' ' THR . 64.1 t -83.13 -48.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.18 110.407 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.492 HG21 ' HE2' ' A' ' 47' ' ' TYR . 92.4 t -59.42 -42.25 87.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.797 -0.638 . . . . 1.08 111.378 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -82.58 -17.0 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 1.72 111.079 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 62.97 57.71 1.61 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.58 0.55 . . . . 5.44 110.227 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.72 -155.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 2.79 111.796 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.62 -179.96 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.87 110.715 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m170 63.67 30.21 14.88 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.793 0.437 . . . . 0.77 111.139 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 22' ' ' ARG . 1.6 t -124.45 116.94 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.566 -0.454 . . . . 1.66 111.248 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 p -84.46 149.72 25.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.712 -0.676 . . . . 1.3 109.44 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.71 -26.38 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.257 -0.429 . . . . 1.73 111.591 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 37.6 ttpt -61.97 -57.2 12.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 3.81 111.302 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.551 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.88 -29.11 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.424 0.527 . . . . 1.21 112.424 -178.508 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 35' ' ' ARG . 41.6 ttm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 3.82 111.057 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 52.0 mt-10 -74.26 -24.09 59.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.777 -0.647 . . . . 1.45 111.622 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 23.1 mtpp -77.5 -38.74 48.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 1.59 110.176 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 20' ' ' VAL . 61.0 t -71.19 -44.82 73.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 1.07 110.965 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -62.89 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.284 0.564 . . . . 1.59 110.061 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.38 -42.14 59.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.739 -0.664 . . . . 1.17 110.913 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -66.28 -42.74 88.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.08 112.066 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.751 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.4 ptp -68.13 -10.09 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.057 0.391 . . . . 1.11 112.057 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.77 -16.94 22.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.23 110.209 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -80.83 -60.01 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 1.36 110.743 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.708 ' HG ' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -81.91 0.58 39.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 2.46 112.458 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' N ' HD22 ' A' ' 45' ' ' LEU . 66.7 m-20 62.92 67.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.126 0.489 . . . . 2.45 111.01 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.751 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.1 t80 -75.15 130.89 39.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.707 -0.678 . . . . 2.01 111.43 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.93 106.66 55.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 1.83 110.327 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.3 120.26 7.84 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.526 2.151 . . . . 0.65 111.184 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -79.66 108.32 13.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.327 -0.397 . . . . 0.54 111.535 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -73.45 -22.69 60.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 5.89 110.768 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.556 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -77.92 -41.31 36.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.357 -0.383 . . . . 0.83 110.105 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.83 -30.79 69.41 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.732 -0.667 . . . . 1.18 109.757 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.74 -41.07 88.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.799 -0.637 . . . . 1.41 110.543 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.39 -32.7 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 2.53 109.972 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.35 -50.55 15.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 1.27 110.623 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.83 72.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 1.24 110.783 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 121.029 -0.605 . . . . 1.14 111.851 178.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.684 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.7 t . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.556 -0.535 . . . . 1.33 109.556 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.446 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 16.6 p -90.75 169.25 11.12 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.843 -0.617 . . . . 1.12 111.455 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -79.44 -7.7 58.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.458 -1.312 . . . . 1.37 107.458 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 18.5 m-85 -79.78 -44.54 20.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 113.718 -1.583 . . . . 2.18 109.628 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.54 -37.19 86.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.275 -0.875 . . . . 1.31 110.989 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' B' ' 45' ' ' LEU . 56.5 t -62.64 -41.79 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.319 0.581 . . . . 1.05 109.946 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -50.27 63.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.201 -0.909 . . . . 1.07 111.189 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 91.9 mt-10 -57.64 -36.56 72.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 2.34 111.286 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.517 ' CB ' HD21 ' B' ' 45' ' ' LEU . 80.0 t80 -68.95 -51.47 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 2.46 111.205 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.71 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -65.09 -30.74 71.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 1.18 111.736 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.11 8.37 41.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.943 -0.646 . . . . 0.61 112.164 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.97 169.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.243 . . . . 1.11 110.345 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.92 41.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.321 -0.622 . . . . 0.78 109.321 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.76 -25.82 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 2.39 110.525 -179.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.5 -22.34 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.426 . . . . 1.4 110.424 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -67.22 -29.18 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.643 -0.873 . . . . 1.15 108.643 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' B' ' 10' ' ' ALA . 19.6 t -78.21 -41.0 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.042 -0.981 . . . . 1.1 109.066 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -50.82 -30.99 15.76 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.885 -0.598 . . . . 1.34 110.626 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.12 -64.07 0.93 Allowed 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.587 -0.733 . . . . 3.18 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -58.43 -29.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 1.18 111.714 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.503 HG21 HD13 ' B' ' 6' ' ' LEU . 15.0 t -67.3 -29.19 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.29 -0.414 . . . . 1.35 111.564 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.334 0.588 . . . . 1.68 110.677 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 1.63 109.535 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.71 122.45 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 1.84 109.811 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.51 161.97 26.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 1.42 110.676 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.87 -52.9 61.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.514 0.509 . . . . 1.59 111.705 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -59.6 -39.48 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 3.76 111.227 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 20.2 m -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.607 -0.269 . . . . 1.34 111.604 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' B' ' 35' ' ' ARG . 19.6 ttt85 -61.88 -50.36 72.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.167 -0.309 . . . . 3.81 110.167 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.25 -33.59 73.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.752 -0.658 . . . . 2.09 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.71 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 36.3 ttmt -63.39 -47.41 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 2.16 110.643 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.48 -47.31 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 1.14 111.508 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.44 -38.78 81.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.79 111.075 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.01 84.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 1.38 110.26 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.41 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 1.14 110.734 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 60.7 mtt -59.61 -27.05 65.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.259 -0.428 . . . . 1.14 110.297 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.87 -19.45 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 1.26 111.136 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -75.87 -51.94 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.55 110.375 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 4' ' ' VAL . 1.2 mm? -80.57 -15.72 55.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 1.58 110.463 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.484 ' O ' HG13 ' B' ' 48' ' ' ILE . 2.6 t-20 69.07 54.87 0.43 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.392 -1.336 . . . . 1.87 107.392 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.684 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.1 t80 -52.37 117.0 2.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.09 -1.414 . . . . 2.23 112.745 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 46' ' ' ASN . 78.3 mt -124.19 93.23 47.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.454 -1.248 . . . . 1.97 107.784 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.502 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.9 Cg_exo -33.43 127.88 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.795 3.663 . . . . 0.95 114.675 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.446 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.8 m120 -55.21 91.67 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.245 0 O-C-N 124.097 0.873 . . . . 1.64 110.76 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -54.38 -35.95 63.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.941 0.401 . . . . 5.46 111.638 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.556 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 19.2 m -77.99 -56.09 4.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.236 0.458 . . . . 0.92 112.236 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.39 73.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.9 1.074 . . . . 1.22 113.9 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.502 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 55.7 mt-30 -69.76 -45.04 68.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.301 0.5 . . . . 1.49 112.11 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -65.02 -35.36 80.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.237 0.541 . . . . 3.16 109.81 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 12.6 tp -67.58 -68.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.953 -1.021 . . . . 1.2 110.549 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.257 -0.883 . . . . 1.12 112.468 -178.533 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 CA--C 1.533 0.44 0 CA-C-O 121.323 0.468 . . . . 1.67 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.897 HG13 ' HG ' ' A' ' 45' ' ' LEU . 59.7 t -92.54 132.56 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.104 -0.702 . . . . 1.27 109.104 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.1 172.64 6.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.456 -0.338 . . . . 1.07 110.657 -178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.651 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -64.57 -17.65 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.122 -0.49 . . . . 1.11 110.646 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.07 -33.52 63.71 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.423 -0.353 . . . . 1.04 110.457 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HB3' HG11 ' A' ' 4' ' ' VAL . 14.4 t0 -75.53 -35.14 60.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.723 -0.473 . . . . 1.75 109.723 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.3 -43.5 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.364 -0.606 . . . . 1.07 109.364 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.84 94.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.175 -0.92 . . . . 1.08 110.078 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.614 -0.721 . . . . 2.21 110.464 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 3.7 t80 -76.07 -39.81 54.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 2.38 111.095 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.76 -16.41 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.05 111.676 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.17 33.37 32.69 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.583 -0.817 . . . . 0.52 111.425 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.3 -175.16 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.998 -0.601 . . . . 1.12 109.835 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -94.97 157.51 15.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.155 -0.684 . . . . 1.37 109.155 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.651 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 54.2 p90 -60.14 -32.66 71.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.61 -0.436 . . . . 2.19 110.928 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 10.0 tp60 -66.19 -33.25 75.33 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.109 -0.7 . . . . 1.64 109.109 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.61 -39.51 88.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.152 -0.476 . . . . 1.14 109.87 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' O ' HG21 ' A' ' 24' ' ' VAL . 52.1 t -60.06 -57.19 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 1.02 110.257 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 66.0 m -63.56 -25.25 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.88 110.393 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.7 tpp180 -61.76 -32.04 72.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 2.6 109.835 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.892 HG22 HG11 ' A' ' 30' ' ' VAL . 40.4 t -88.7 -46.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.671 -0.695 . . . . 1.18 110.165 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG22 ' HE3' ' A' ' 42' ' ' MET . 21.7 t -62.37 -55.62 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 114.439 1.274 . . . . 1.08 114.439 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -122.03 3.49 9.91 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.738 1.384 . . . . 1.72 114.738 -175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' CG ' ' HA ' ' A' ' 22' ' ' ARG . 15.2 mm100 -106.03 -45.58 4.3 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.478 -0.889 . . . . 5.44 111.356 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.65 27.22 13.93 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.42 0.629 . . . . 2.79 111.497 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 p -146.54 156.03 42.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.453 -0.794 . . . . 1.87 108.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m170 63.72 26.56 14.52 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.514 0.326 . . . . 0.77 111.415 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.892 HG11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -122.94 132.89 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.66 111.458 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -90.95 163.18 14.44 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.361 -0.836 . . . . 1.3 108.964 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.99 82.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 1.73 111.081 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 42.9 tttm -58.88 -45.23 90.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 3.81 111.771 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.484 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -81.67 -40.33 23.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.347 0.499 . . . . 1.21 112.347 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.576 ' HG3' HG11 ' A' ' 23' ' ' VAL . 42.3 ttp180 -57.97 -50.26 74.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.959 0.355 . . . . 3.82 111.959 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -75.64 -11.44 60.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.149 -0.478 . . . . 1.45 111.98 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 18.8 ttmm -90.53 -35.43 15.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.409 . . . . 1.59 110.28 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 34' ' ' THR . 96.3 t -75.47 -43.85 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.884 -0.598 . . . . 1.07 110.043 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 34.7 mm-40 -61.72 -31.55 71.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 1.59 109.85 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -80.61 -36.52 32.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.699 -0.682 . . . . 1.17 111.087 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.658 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.31 -44.36 83.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.356 -0.384 . . . . 1.08 111.203 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.829 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.4 ptp -69.26 -8.5 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.202 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -23.07 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.232 0.539 . . . . 1.23 110.348 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 7.3 mm-40 -78.16 -57.1 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 1.36 111.226 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.897 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -85.17 0.96 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.858 -0.61 . . . . 2.46 112.33 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 45' ' ' LEU . 12.2 t30 59.2 77.06 0.33 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.728 0.775 . . . . 2.45 110.657 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.829 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.3 t80 -82.51 138.76 34.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.982 -1.008 . . . . 2.01 110.962 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.6 112.12 34.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.83 110.321 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 119.68 6.8 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.444 2.096 . . . . 0.65 111.528 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -76.04 105.99 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.54 111.21 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -69.26 -28.94 66.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 5.89 110.804 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.543 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.97 -42.47 66.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.821 -0.437 . . . . 0.83 109.821 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.69 -31.58 72.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.394 -0.595 . . . . 1.18 109.394 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -66.58 -41.87 87.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.938 -1.028 . . . . 1.41 110.326 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.16 -32.38 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.767 -0.652 . . . . 2.53 110.311 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.3 tp -77.66 -45.58 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 1.27 110.933 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.27 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 1.24 110.83 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.876 -0.678 . . . . 1.14 112.266 179.158 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.745 HG22 ' O ' ' B' ' 45' ' ' LEU . 16.1 t . . . . . 0 CA--C 1.515 -0.369 0 CA-C-O 120.984 0.421 . . . . 1.33 110.69 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.459 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.4 p -106.04 172.84 6.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.156 -0.474 . . . . 1.12 110.694 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.547 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -78.95 -10.26 59.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.803 -1.184 . . . . 1.37 107.803 179.147 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.448 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 20.5 m-85 -78.68 -33.89 46.61 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 113.857 -1.519 . . . . 2.18 109.629 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -69.34 -39.4 78.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 1.31 110.415 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.578 ' HA ' HD21 ' B' ' 45' ' ' LEU . 43.9 t -61.32 -42.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.379 -0.828 . . . . 1.05 110.853 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -63.36 -46.42 86.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 1.07 111.68 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.97 -41.35 87.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.763 -0.653 . . . . 2.34 112.029 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.481 ' HB3' HD23 ' B' ' 45' ' ' LEU . 78.6 t80 -77.02 -37.66 54.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 2.46 111.461 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.795 ' HB2' ' HG3' ' B' ' 37' ' ' LYS . . . -71.44 -27.32 63.19 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.005 0.372 . . . . 1.18 112.005 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.9 20.32 47.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.6 -0.809 . . . . 0.61 112.278 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' B' ' 13' ' ' ALA . 35.0 m -118.2 169.84 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.748 -0.464 . . . . 1.11 109.748 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -70.96 152.4 43.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.496 -0.927 . . . . 0.78 108.496 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.551 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.51 -20.7 63.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 2.39 110.254 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.464 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -76.49 -24.74 53.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.614 -0.721 . . . . 1.4 110.126 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -66.14 -27.72 68.25 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.053 -0.721 . . . . 1.15 109.053 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.447 HG13 ' CG1' ' B' ' 38' ' ' VAL . 2.9 t -75.22 -45.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.016 -0.993 . . . . 1.1 108.598 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -46.98 -36.74 8.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.901 0.48 . . . . 1.34 111.217 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 25.7 mmt180 -59.31 -60.1 4.4 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.253 -0.43 . . . . 3.18 110.664 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.05 -34.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.675 -0.693 . . . . 1.18 111.141 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.51 HG23 HD12 ' B' ' 6' ' ' LEU . 25.0 t -67.83 -33.68 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 1.35 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.178 0.514 . . . . 1.68 110.879 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.82 0.343 . . . . 1.63 111.454 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.39 48.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.266 -0.642 . . . . 1.84 109.266 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 35.74 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.089 0.403 . . . . 1.42 112.089 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 69.27 -53.66 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.72 0.808 . . . . 1.59 111.646 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -55.89 -48.05 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.811 -0.632 . . . . 3.76 111.022 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.56 91.52 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.398 -0.364 . . . . 1.34 111.051 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -61.82 -49.87 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 3.81 110.512 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.82 -32.39 73.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.7 -0.682 . . . . 2.09 110.679 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.795 ' HG3' ' HB2' ' B' ' 13' ' ' ALA . 1.0 OUTLIER -67.33 -46.52 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.675 -0.491 . . . . 2.16 109.675 179.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.503 HG11 ' HE1' ' B' ' 42' ' ' MET . 69.1 t -66.35 -47.14 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.624 . . . . 1.14 110.444 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.12 -46.03 75.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.877 -0.601 . . . . 1.79 111.053 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.76 78.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.405 -0.361 . . . . 1.38 111.519 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.512 ' HB3' HG12 ' B' ' 9' ' ' VAL . . . -63.94 -31.56 72.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.459 -0.337 . . . . 1.14 111.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.503 ' HE1' HG11 ' B' ' 38' ' ' VAL . 54.6 mtt -57.87 -31.49 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 1.14 110.361 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.37 -34.08 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 1.26 110.947 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -63.14 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.358 0.599 . . . . 1.55 110.481 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.745 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -91.28 2.98 55.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.52 -0.764 . . . . 1.58 111.209 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.479 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.2 p-10 46.65 48.9 14.23 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.15 0.976 . . . . 1.87 109.326 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -49.97 118.44 2.9 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.929 -1.487 . . . . 2.23 113.423 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.524 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 29.0 mt -120.25 94.89 48.96 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 107.472 -1.307 . . . . 1.97 107.472 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -35.84 127.07 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.419 3.413 . . . . 0.95 114.753 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -52.76 99.54 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-N 115.51 -0.768 . . . . 1.64 110.591 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.89 -40.5 84.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.7 0.259 . . . . 5.46 111.7 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 64.0 m -77.07 -53.34 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.751 0.649 . . . . 0.92 112.751 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.09 77.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.62 0.97 . . . . 1.22 113.62 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 29.6 mt-30 -69.96 -47.27 62.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.947 0.351 . . . . 1.49 111.947 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.29 -38.0 76.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.492 0.663 . . . . 3.16 109.629 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.46 -70.54 0.24 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.668 -1.151 . . . . 1.2 110.569 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.12 113.341 -177.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 C--O 1.236 0.407 0 CA-C-O 121.133 0.389 . . . . 1.67 113.038 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.833 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 88.0 t -74.72 144.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.442 -0.799 . . . . 1.27 109.222 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.74 165.91 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.735 0.302 . . . . 1.07 110.641 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.566 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -63.66 -18.08 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.991 -0.55 . . . . 1.11 110.987 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.99 -34.78 62.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.526 . . . . 1.04 109.578 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -69.91 -38.79 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 1.75 109.553 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.03 -46.77 78.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.497 -0.774 . . . . 1.07 110.053 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.93 87.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.744 -0.662 . . . . 1.08 110.727 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.23 -38.67 82.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.807 -0.633 . . . . 2.21 111.111 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.427 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 26.8 t80 -73.86 -35.62 64.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 2.38 111.261 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -84.74 -18.46 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 1.05 111.549 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.14 27.7 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.069 -0.812 . . . . 0.52 111.069 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -124.63 -166.52 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.098 -0.551 . . . . 1.12 109.932 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -106.1 154.48 20.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.582 -0.525 . . . . 1.37 109.582 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.6 p90 -60.41 -28.82 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.306 0.574 . . . . 2.19 110.08 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -68.09 -36.2 79.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.519 -0.764 . . . . 1.64 109.347 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.4 m -67.1 -43.46 82.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.892 -0.595 . . . . 1.14 109.622 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.9 t -57.57 -51.15 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 1.02 110.853 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 m -61.29 -29.7 70.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.823 0.344 . . . . 0.88 111.422 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 68.3 mtt180 -70.72 -23.9 62.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 2.6 110.882 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 30' ' ' VAL . 66.0 t -90.63 -46.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.188 0.518 . . . . 1.18 110.497 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 20' ' ' VAL . 56.4 t -60.84 -49.82 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.138 -0.937 . . . . 1.08 111.925 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -96.93 0.13 48.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.574 0.583 . . . . 1.72 112.574 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 57.79 76.13 0.34 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.229 0.538 . . . . 5.44 110.548 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.41 25.04 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 2.79 111.317 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' HG21 ' A' ' 30' ' ' VAL . 2.3 t 59.26 -166.09 0.18 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.744 -0.662 . . . . 1.87 111.091 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 4.6 m170 61.01 27.75 17.6 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.129 0.418 . . . . 0.77 112.129 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 23' ' ' VAL . 3.2 t -132.98 140.55 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 1.66 110.586 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -100.73 169.09 9.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.3 109.689 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -62.67 -36.78 84.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.852 0.358 . . . . 1.73 111.09 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -56.57 -50.03 73.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 3.81 111.706 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.564 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -78.6 -32.53 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 1.21 112.382 -178.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.572 ' HG3' HG12 ' A' ' 23' ' ' VAL . 43.7 ttp180 -63.78 -45.98 87.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 3.82 111.167 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 89.4 mt-10 -67.42 -26.01 66.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.745 0.646 . . . . 1.45 112.745 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.5 ptpt -85.08 -29.39 24.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.479 -0.488 . . . . 1.59 110.379 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 34' ' ' THR . 53.7 t -72.85 -45.09 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.75 -0.463 . . . . 1.07 109.75 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 42.4 mt-10 -68.07 -23.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 1.59 109.834 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.77 -43.19 22.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.646 -0.706 . . . . 1.17 110.195 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -67.78 -38.12 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 1.08 111.141 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.721 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.3 ptp -72.42 -11.1 60.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.933 0.397 . . . . 1.11 110.808 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.68 -26.56 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 1.23 109.937 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.0 mm-40 -71.27 -63.38 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.74 0.781 . . . . 1.36 110.66 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -74.8 -10.88 59.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.523 -1.217 . . . . 2.46 111.772 -178.243 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 67.0 65.92 0.43 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.605 0.717 . . . . 2.45 109.652 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.833 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.7 t80 -73.49 134.31 43.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.83 -1.077 . . . . 2.01 111.532 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -115.63 104.95 52.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.642 . . . . 1.83 110.188 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -58.23 130.98 40.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.759 2.306 . . . . 0.65 111.498 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.32 113.83 26.21 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.296 0.48 . . . . 0.54 112.296 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -21.58 52.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.648 -0.705 . . . . 5.89 109.57 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -56.63 4.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.5 -0.556 . . . . 0.83 109.5 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.62 64.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.477 -0.783 . . . . 1.18 110.213 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -38.73 90.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 1.41 109.665 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -72.16 -33.34 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 2.53 110.837 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -77.22 -49.86 14.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 1.27 111.125 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.24 111.948 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.651 0 C-N-CA 120.505 -0.855 . . . . 1.14 112.66 -179.761 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.822 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 86.9 t . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.702 -0.481 . . . . 1.33 109.702 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.556 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 7.0 p -90.77 163.07 14.6 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.257 -0.429 . . . . 1.12 110.628 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.485 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -76.99 -7.02 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.588 -1.264 . . . . 1.37 107.588 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.455 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 27.1 m-85 -80.18 -42.03 24.15 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.864 -1.516 . . . . 2.18 109.263 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.17 -36.86 85.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.448 -0.797 . . . . 1.31 109.96 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD22 ' B' ' 45' ' ' LEU . 60.1 t -61.45 -43.15 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.26 -0.882 . . . . 1.05 110.248 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -66.62 -42.67 86.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.419 -0.809 . . . . 1.07 111.787 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.777 -0.647 . . . . 2.34 111.124 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' B' ' 44' ' ' GLU . 67.6 t80 -72.22 -42.88 65.21 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 2.46 111.139 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.74 -18.92 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 1.18 112.564 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.58 27.7 60.73 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.963 -0.636 . . . . 0.61 111.982 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.455 HG12 HG21 ' B' ' 34' ' ' THR . 35.5 m -125.25 175.47 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 122.752 0.421 . . . . 1.11 109.923 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.3 p -75.22 154.72 37.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.412 -0.958 . . . . 0.78 108.412 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.635 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -61.54 -22.11 64.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.497 . . . . 2.39 110.743 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' B' ' 21' ' ' SER . 4.2 tt0 -81.33 -17.26 49.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.189 -0.46 . . . . 1.4 111.024 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.88 -31.23 71.69 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.987 -1.116 . . . . 1.15 107.987 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.462 HG11 ' CG1' ' B' ' 38' ' ' VAL . 15.7 t -73.99 -39.18 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.256 -1.338 . . . . 1.1 108.792 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 31.3 t -53.21 -33.0 50.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.205 -0.907 . . . . 1.34 111.056 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 22' ' ' ARG . 33.6 mmt180 -63.66 -56.26 17.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 3.18 110.604 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.75 -27.93 41.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.012 -0.54 . . . . 1.18 111.28 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -73.49 -33.42 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 1.35 111.03 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.247 0.546 . . . . 1.68 111.75 -179.846 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 112.03 0.381 . . . . 1.63 112.03 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.68 97.54 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 120.716 0.293 . . . . 1.84 110.265 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.45 152.88 28.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.906 -0.588 . . . . 1.42 110.013 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.55 -48.97 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.49 0.552 . . . . 1.59 112.49 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.566 ' HG3' ' HE2' ' B' ' 37' ' ' LYS . 4.4 tppp? -54.51 -55.12 32.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 3.76 112.022 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.455 HG21 HG12 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.4 -41.1 85.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.279 0.474 . . . . 1.34 112.279 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -61.25 -44.17 97.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 3.81 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -64.29 -33.59 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 2.09 110.818 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.566 ' HE2' ' HG3' ' B' ' 33' ' ' LYS . 67.9 mttm -63.5 -45.5 90.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.253 0.549 . . . . 2.16 109.559 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.524 HG11 ' HE1' ' B' ' 42' ' ' MET . 66.9 t -66.08 -49.62 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 1.14 111.239 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.26 -38.02 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.357 -0.383 . . . . 1.79 110.994 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.25 84.4 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.923 -0.399 . . . . 1.38 109.923 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.49 79.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.78 -0.645 . . . . 1.14 110.568 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.524 ' HE1' HG11 ' B' ' 38' ' ' VAL . 56.5 mtt -60.0 -23.56 63.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 1.14 110.219 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.43 -35.1 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 1.26 111.174 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' B' ' 12' ' ' TYR . 23.7 mm-40 -65.42 -51.33 61.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 1.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -82.86 -14.06 54.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.723 -0.671 . . . . 1.58 109.881 179.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.487 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.5 t30 61.29 63.07 1.26 Allowed 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.573 -1.269 . . . . 1.87 107.573 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.528 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -49.36 113.34 0.79 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.099 -1.41 . . . . 2.23 113.221 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.822 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 34.7 mt -121.44 90.53 47.84 Favored Pre-proline 0 N--CA 1.449 -0.494 0 N-CA-C 107.285 -1.376 . . . . 1.97 107.285 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -36.6 125.23 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 124.169 3.246 . . . . 0.95 113.814 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.2 m120 -47.37 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.347 1.029 . . . . 1.64 110.204 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.499 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 9.8 tpt180 -58.05 -24.71 59.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.763 0.316 . . . . 5.46 111.705 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.56 -64.27 1.18 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.948 0.404 . . . . 0.92 111.182 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.56 80.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.575 0.583 . . . . 1.22 112.575 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 13.5 mm-40 -74.11 -34.32 63.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.948 -0.301 . . . . 1.49 111.25 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.74 -40.17 88.22 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.771 -0.826 . . . . 3.16 108.771 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.44 -64.77 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.622 -1.172 . . . . 1.2 110.524 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 113.231 0.826 . . . . 1.12 113.231 -178.155 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo . . . . . 0 C--O 1.235 0.343 0 CA-C-O 121.268 0.445 . . . . 1.67 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.757 HG13 ' HG ' ' A' ' 45' ' ' LEU . 79.7 t -94.83 136.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.72 . . . . 1.27 109.415 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 170.23 8.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.185 -0.461 . . . . 1.07 111.341 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -66.82 -16.6 64.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.404 . . . . 1.11 110.555 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -74.55 -39.68 62.15 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.864 -0.607 . . . . 1.04 109.603 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.05 -38.08 85.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.392 -0.822 . . . . 1.75 110.201 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.489 ' HA ' HD13 ' A' ' 45' ' ' LEU . 40.6 t -68.14 -40.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.743 -0.662 . . . . 1.07 109.744 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.85 81.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.16 -0.927 . . . . 1.08 110.521 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.72 -29.0 63.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 2.21 111.097 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.578 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 4.0 t80 -76.58 -39.32 52.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 2.38 110.701 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -85.98 -19.11 30.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.942 0.401 . . . . 1.05 111.491 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.58 11.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.681 -0.968 . . . . 0.52 110.681 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 34' ' ' THR . 26.8 m -132.37 -166.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.264 -0.468 . . . . 1.12 110.031 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.8 p -100.55 158.61 15.79 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.1 -0.704 . . . . 1.37 109.1 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 38.0 p90 -66.05 -27.76 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.594 -0.521 . . . . 2.19 109.594 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.44 -35.34 79.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.877 -0.786 . . . . 1.64 108.877 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 23' ' ' VAL . 63.2 m -65.81 -44.24 86.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.139 -0.689 . . . . 1.14 109.139 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 24' ' ' VAL . 74.1 t -58.64 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.462 -0.79 . . . . 1.02 110.082 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -62.68 -31.82 72.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.88 110.803 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.708 ' HG3' HG21 ' A' ' 30' ' ' VAL . 6.6 tpp180 -64.02 -36.15 83.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.584 . . . . 2.6 110.021 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 19' ' ' THR . 54.8 t -80.34 -46.45 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.615 -0.72 . . . . 1.18 111.197 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 20' ' ' VAL . 61.6 t -58.86 -41.29 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 1.08 111.744 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -78.95 -20.36 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.326 0.491 . . . . 1.72 112.326 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 61.59 42.89 10.57 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.319 0.581 . . . . 5.44 110.269 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.9 -144.19 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 2.79 111.497 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 0.7 OUTLIER -95.26 174.12 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.397 -0.365 . . . . 1.87 110.237 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER 61.21 36.46 17.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.425 0.69 . . . . 0.77 111.745 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.708 HG21 ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -118.58 110.97 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.53 -0.468 . . . . 1.66 110.944 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 87.2 p -82.35 159.83 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 1.3 110.212 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.27 66.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 1.73 111.373 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -62.91 -56.16 19.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 3.81 111.293 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.779 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -73.91 -29.73 62.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.95 -0.568 . . . . 1.21 112.056 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.0 ttt180 -58.47 -36.74 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.157 0.503 . . . . 3.82 111.079 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.65 -35.51 22.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.597 . . . . 1.45 112.493 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.779 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.7 ptpt -75.43 -32.01 60.55 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.871 -0.332 . . . . 1.59 111.675 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.416 HG11 HG23 ' A' ' 20' ' ' VAL . 77.1 t -74.11 -44.55 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 1.07 110.338 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 1.3 mt-10 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 1.59 110.441 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.99 -32.27 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.521 . . . . 1.17 110.757 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.61 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -75.91 -42.73 48.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.953 -0.567 . . . . 1.08 111.027 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.611 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -65.51 -12.82 56.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 1.11 111.673 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.36 23.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.419 . . . . 1.23 110.677 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.51 -58.76 2.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.867 -0.606 . . . . 1.36 111.694 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.757 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -80.8 -2.38 46.94 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.853 -0.612 . . . . 2.46 112.604 -178.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' HD23 ' A' ' 45' ' ' LEU . 57.2 m-20 66.02 69.48 0.44 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.214 0.531 . . . . 2.45 111.098 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.647 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.1 t80 -65.92 133.76 51.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.229 -0.896 . . . . 2.01 111.015 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.72 100.42 38.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 1.83 110.96 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.24 130.55 22.88 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.558 2.172 . . . . 0.65 110.414 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -106.91 113.72 27.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.37 . . . . 0.54 111.997 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 7.6 ppt_? -78.17 -22.72 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 5.89 109.823 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.554 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 1.1 m -69.82 -43.23 72.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.463 -0.569 . . . . 0.83 109.463 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.06 67.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.02 -0.991 . . . . 1.18 109.602 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -68.02 -42.46 80.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 1.41 109.741 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.7 mt-30 -65.94 -32.66 74.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 2.53 109.94 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.33 -52.91 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 1.27 110.718 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 1.24 111.278 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 121.095 -0.574 . . . . 1.14 111.808 179.448 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.727 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.5 t . . . . . 0 CA--C 1.515 -0.38 0 CA-C-O 120.897 0.38 . . . . 1.33 111.39 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 32.1 p -100.49 -176.66 3.27 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.643 -0.708 . . . . 1.12 110.46 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.55 ' HB2' ' HH ' ' B' ' 47' ' ' TYR . 0.4 OUTLIER -81.1 -9.01 59.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.801 -1.185 . . . . 1.37 107.801 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.404 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 14.9 m-85 -81.32 -35.3 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 113.8 -1.546 . . . . 2.18 109.933 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.594 ' HB2' HG11 ' B' ' 4' ' ' VAL . 14.5 m-20 -70.9 -39.68 72.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.618 -0.719 . . . . 1.31 111.103 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.459 HG13 ' HB3' ' B' ' 41' ' ' ALA . 44.6 t -57.91 -38.37 65.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.369 0.604 . . . . 1.05 110.365 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -44.51 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.214 -0.903 . . . . 1.07 111.223 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -56.9 -47.29 80.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.84 . . . . 2.34 111.818 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.513 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.1 t80 -69.86 -42.12 73.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 2.46 111.764 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.2 -21.04 63.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.379 -0.373 . . . . 1.18 111.247 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.59 22.9 52.47 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.822 -0.704 . . . . 0.61 112.224 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.02 174.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.579 -0.526 . . . . 1.11 109.579 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.6 p -78.43 153.43 31.49 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.691 -0.855 . . . . 0.78 108.691 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.553 ' HA ' ' HB1' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -58.66 -28.53 65.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.195 0.521 . . . . 2.39 109.758 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.84 -30.03 70.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.536 -0.756 . . . . 1.4 110.429 179.405 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.532 ' O ' HG23 ' B' ' 23' ' ' VAL . 18.7 m -61.9 -40.08 94.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.04 -0.726 . . . . 1.15 109.04 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.527 HG21 ' HB1' ' B' ' 10' ' ' ALA . 13.9 t -69.46 -45.66 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.317 -0.856 . . . . 1.1 109.115 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -54.56 -33.87 60.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.137 0.494 . . . . 1.34 110.788 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 4.8 mtt85 -79.76 -42.57 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 3.18 111.238 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 19' ' ' THR . 60.5 t -58.3 -33.43 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 1.18 110.517 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 20' ' ' VAL . 43.1 t -85.42 -32.35 7.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 1.35 112.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 113.457 0.91 . . . . 1.68 113.457 -177.822 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.495 0.188 . . . . 1.63 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.425 HG12 HG21 ' B' ' 23' ' ' VAL . 47.0 t -135.7 111.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.963 0.411 . . . . 1.84 110.719 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.81 152.68 44.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.674 -0.694 . . . . 1.42 110.582 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.42 73.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.495 -0.32 . . . . 1.59 111.559 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.17 -54.0 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.533 -0.303 . . . . 3.76 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -67.62 -34.83 77.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.61 0.243 . . . . 1.34 111.445 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.472 ' HG3' HG11 ' B' ' 23' ' ' VAL . 49.3 ttp180 -63.02 -51.53 66.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.065 0.459 . . . . 3.81 110.287 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -68.41 -32.37 72.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.587 -0.733 . . . . 2.09 111.317 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.455 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 23.4 ttmm -64.55 -43.12 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 2.16 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.516 ' CG1' HG11 ' B' ' 20' ' ' VAL . 46.1 t -66.46 -47.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 1.14 110.649 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.89 -34.58 76.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 1.79 111.089 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.8 60.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.96 0.409 . . . . 1.38 110.548 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.459 ' HB3' HG13 ' B' ' 9' ' ' VAL . . . -63.46 -28.83 70.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.946 -0.57 . . . . 1.14 111.119 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 68.7 mtt -59.06 -28.33 66.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 1.14 110.366 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.74 -14.85 36.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 1.26 111.673 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.8 -47.22 8.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.03 0.443 . . . . 1.55 110.495 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.555 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -79.12 -24.51 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.626 . . . . 1.58 111.029 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 42.5 t30 76.78 57.32 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 106.812 -1.551 . . . . 1.87 106.812 -176.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.727 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -56.62 114.83 2.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.097 -1.411 . . . . 2.23 112.548 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -113.01 94.17 28.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 107.742 -1.207 . . . . 1.97 107.742 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -33.52 118.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.205 3.27 . . . . 0.95 114.341 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -73.68 64.76 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.574 -0.739 . . . . 1.64 109.374 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 51' ' ' ARG . 13.5 mtm180 -50.7 -33.01 21.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.811 -1.086 . . . . 5.46 112.979 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 86.3 m -58.37 -53.73 54.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.957 0.408 . . . . 0.92 110.86 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.19 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.869 -0.605 . . . . 1.22 111.318 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 80.3 mt-30 -71.47 -54.52 10.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.488 -0.324 . . . . 1.49 111.419 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.53 -35.51 70.39 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.983 -0.747 . . . . 3.16 108.983 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.22 -69.64 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.319 -1.309 . . . . 1.2 111.002 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 O-C-N 124.37 1.044 . . . . 1.12 113.339 -177.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 N--CA 1.461 -0.414 0 CA-C-O 121.193 0.414 . . . . 1.67 111.681 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.807 HG13 ' HG ' ' A' ' 45' ' ' LEU . 39.6 t -66.98 135.01 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.518 -0.764 . . . . 1.27 109.244 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.91 164.51 11.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.123 -0.49 . . . . 1.07 111.229 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.785 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -64.14 -16.74 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.622 -0.717 . . . . 1.11 110.761 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.06 -33.59 59.58 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.212 -0.662 . . . . 1.04 109.212 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.46 -39.92 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.753 . . . . 1.75 109.625 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.29 -40.1 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 1.07 109.707 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.72 84.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.451 -0.795 . . . . 1.08 110.2 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -73.78 -28.61 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.436 -0.802 . . . . 2.21 110.493 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.544 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t80 -79.6 -38.23 34.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.797 -0.638 . . . . 2.38 111.297 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.58 -14.84 36.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.479 -0.328 . . . . 1.05 111.437 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.09 39.92 22.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.52 111.252 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.23 -170.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.705 -0.479 . . . . 1.12 109.705 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -97.59 156.54 16.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.774 -0.454 . . . . 1.37 109.774 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.0 p90 -58.27 -35.7 72.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.484 -0.325 . . . . 2.19 110.81 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 14.3 tp60 -64.63 -33.56 76.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.384 -0.599 . . . . 1.64 109.384 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 23' ' ' VAL . 5.6 m -68.0 -43.29 79.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.683 -0.689 . . . . 1.14 109.35 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.601 ' O ' HG22 ' A' ' 24' ' ' VAL . 69.0 t -60.03 -53.87 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.171 -0.922 . . . . 1.02 110.048 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -61.51 -30.35 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.88 110.44 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.978 ' HG3' HG21 ' A' ' 30' ' ' VAL . 11.0 tpp180 -62.54 -38.06 88.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.103 -0.703 . . . . 2.6 109.103 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG11 ' HG3' ' A' ' 35' ' ' ARG . 71.1 t -80.76 -40.75 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.036 -0.984 . . . . 1.18 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 20' ' ' VAL . 91.1 t -59.26 -43.02 88.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.171 -0.468 . . . . 1.08 111.047 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -73.49 -27.88 61.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.418 -0.356 . . . . 1.72 111.211 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 60.28 41.71 16.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.481 0.657 . . . . 5.44 109.712 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.79 -144.49 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.161 -0.927 . . . . 2.79 111.224 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.4 m -83.94 171.86 12.62 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.677 0.275 . . . . 1.87 111.547 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 m170 62.38 33.06 16.61 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.585 0.754 . . . . 0.77 112.39 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.978 HG21 ' HG3' ' A' ' 22' ' ' ARG . 2.1 t -120.3 117.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.351 -0.54 . . . . 1.66 111.42 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.0 p -87.84 150.75 23.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.072 -0.714 . . . . 1.3 109.072 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.02 68.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.724 0.297 . . . . 1.73 110.992 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.92 -52.39 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 3.81 111.554 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.695 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.4 p -78.56 -29.34 46.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 1.21 111.395 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HG3' HG11 ' A' ' 23' ' ' VAL . 47.1 ttt-85 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.129 0.49 . . . . 3.82 110.815 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.64 -22.05 51.29 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.216 0.821 . . . . 1.45 113.216 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.695 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 13.4 ptpt -91.69 -27.18 18.25 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.284 -0.566 . . . . 1.59 110.899 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 20' ' ' VAL . 76.5 t -77.63 -45.26 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.848 0.356 . . . . 1.07 110.498 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 34.5 mt-10 -66.77 -25.1 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 1.59 110.397 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.5 -30.7 33.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.447 . . . . 1.17 110.612 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.585 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -77.11 -42.88 36.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.301 -0.409 . . . . 1.08 111.043 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.706 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.5 ptp -66.37 -11.8 53.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.059 -0.519 . . . . 1.11 111.496 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.06 -15.73 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.285 0.564 . . . . 1.23 110.424 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -85.51 -61.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.47 -0.786 . . . . 1.36 111.337 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.807 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -77.8 3.57 13.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 2.46 112.457 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.93 62.51 1.43 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.301 0.572 . . . . 2.45 110.857 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.9 t80 -63.12 135.53 57.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.139 -0.937 . . . . 2.01 111.143 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.64 105.92 56.72 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.651 -0.704 . . . . 1.83 110.576 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.56 95.55 0.28 Allowed 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.463 2.109 . . . . 0.65 110.34 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.76 107.97 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.54 112.221 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -23.4 53.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.564 -0.744 . . . . 5.89 110.376 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.738 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -76.13 -39.04 56.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.575 . . . . 0.83 110.208 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.75 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.868 -0.605 . . . . 1.18 109.38 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.74 -38.39 86.54 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.13 -0.941 . . . . 1.41 110.05 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.25 -26.49 66.6 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.81 -0.632 . . . . 2.53 110.696 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' B' ' 53' ' ' ALA . 11.4 tp -86.51 -51.49 6.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.258 -0.428 . . . . 1.27 111.016 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.0 71.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.407 0.623 . . . . 1.24 110.712 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.676 0 CA-C-N 115.659 -0.701 . . . . 1.14 111.53 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.69 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 56.3 t . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.11 0.481 . . . . 1.33 110.531 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.474 HG22 ' ND2' ' B' ' 50' ' ' ASN . 15.9 p -97.04 166.03 11.79 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.688 -0.687 . . . . 1.12 110.782 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -77.98 -7.72 57.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.865 -1.161 . . . . 1.37 107.865 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.434 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 15.7 m-85 -81.54 -39.51 24.55 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.972 -1.467 . . . . 2.18 110.056 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.04 -37.81 88.79 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.774 -0.648 . . . . 1.31 110.078 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.6 t -61.76 -42.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.441 -0.8 . . . . 1.05 110.559 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.568 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -66.12 -49.85 66.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.07 112.135 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 11.3 mm-40 -57.27 -43.28 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 2.34 111.691 -178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.423 ' CB ' HD22 ' B' ' 45' ' ' LEU . 50.8 t80 -69.16 -42.07 76.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 2.46 111.45 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.674 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -70.29 -25.09 63.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.488 -0.323 . . . . 1.18 111.849 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.95 12.04 59.52 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.027 -0.606 . . . . 0.61 112.171 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.45 HG23 ' HB2' ' B' ' 13' ' ' ALA . 30.6 m -109.11 170.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.553 0.216 . . . . 1.11 110.425 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.2 p -73.25 153.26 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.78 108.81 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.568 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.79 -25.91 67.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.118 0.485 . . . . 2.39 110.513 -179.633 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.82 -21.26 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 1.4 110.52 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -65.08 -36.26 83.75 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 107.796 -1.187 . . . . 1.15 107.796 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.491 HG12 ' CG1' ' B' ' 38' ' ' VAL . 9.6 t -72.55 -47.05 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 114.647 -1.16 . . . . 1.1 108.842 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -50.51 -41.99 54.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.836 -0.62 . . . . 1.34 111.139 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -68.9 -49.87 54.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.18 111.302 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.79 -39.55 80.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.099 0.476 . . . . 1.18 110.509 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.54 -37.4 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.159 -0.928 . . . . 1.35 111.146 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.94 0.4 . . . . 1.68 111.745 -178.8 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 m170 . . . . . 0 N--CA 1.444 -0.744 0 N-CA-C 110.534 -0.173 . . . . 1.63 110.534 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -54.89 113.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.42 . . . . 1.84 110.554 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 168.33 19.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.577 -0.738 . . . . 1.42 111.117 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.11 -40.45 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.684 0.278 . . . . 1.59 111.699 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -59.86 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 3.76 111.179 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -28.69 55.36 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.505 -0.316 . . . . 1.34 111.278 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -63.89 -54.96 26.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.167 -0.469 . . . . 3.81 110.566 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.34 -22.25 65.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.511 . . . . 2.09 110.465 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.674 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.6 OUTLIER -66.69 -47.43 72.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.319 0.58 . . . . 2.16 109.768 178.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' B' ' 42' ' ' MET . 93.2 t -66.16 -46.21 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 1.14 110.779 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.25 -33.49 73.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.082 -0.508 . . . . 1.79 111.12 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.02 67.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.049 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.44 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -65.12 -32.09 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.895 -0.593 . . . . 1.14 110.608 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.569 ' HE3' HG13 ' B' ' 38' ' ' VAL . 63.7 mtt -58.07 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 1.14 110.261 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.72 21.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.987 -0.552 . . . . 1.26 111.112 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -51.9 63.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 1.55 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.5 OUTLIER -80.8 -12.32 59.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.184 -0.462 . . . . 1.58 110.546 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.421 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.9 t-20 62.37 56.1 2.19 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 107.274 -1.38 . . . . 1.87 107.274 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.632 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.4 t80 -52.6 106.78 0.17 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 114.137 -1.392 . . . . 2.23 113.307 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.69 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 mm -113.89 93.69 30.43 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 106.962 -1.495 . . . . 1.97 106.962 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.484 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.8 Cg_exo -30.4 115.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.546 3.498 . . . . 0.95 114.667 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.474 ' ND2' HG22 ' B' ' 5' ' ' THR . 6.0 p-10 -72.12 82.13 0.98 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.637 0.732 . . . . 1.64 110.198 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -51.36 -32.69 26.69 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.428 -1.26 . . . . 5.46 112.859 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 96.3 m -54.59 -49.41 70.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.92 111.938 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 56' ' ' LEU . . . -90.79 -26.79 19.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 1.22 111.425 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.484 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 78.2 mt-30 -71.62 -49.9 35.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.734 -0.212 . . . . 1.49 111.51 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -65.62 -31.66 72.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.327 -0.62 . . . . 3.16 109.327 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 11.3 tp -62.43 -63.96 1.07 Allowed 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 114.924 -1.035 . . . . 1.2 109.749 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 114.946 -1.024 . . . . 1.12 111.983 -179.034 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.932 0.305 . . . . 1.67 111.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.738 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.7 t -69.63 136.65 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.299 -0.63 . . . . 1.27 109.299 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.9 167.42 9.8 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.976 0.417 . . . . 1.07 111.239 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.791 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.75 -17.6 64.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 1.11 110.427 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -73.81 -39.48 64.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.495 -0.558 . . . . 1.04 109.495 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.84 -39.72 91.05 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.6 -0.727 . . . . 1.75 110.057 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.31 -40.97 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.391 -0.822 . . . . 1.07 109.726 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.23 95.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.058 -0.974 . . . . 1.08 110.977 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.8 -37.02 76.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 2.21 111.327 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -73.44 -36.15 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.927 0.394 . . . . 2.38 111.033 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.427 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -84.19 -25.52 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 1.05 111.059 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.98 32.24 15.11 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.94 -0.864 . . . . 0.52 110.94 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' A' ' 13' ' ' ALA . 33.1 m -122.92 -170.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.159 -0.521 . . . . 1.12 110.337 -178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -97.3 155.75 16.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.952 -0.759 . . . . 1.37 108.952 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.791 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -58.51 -33.4 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.79 -0.448 . . . . 2.19 109.79 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.0 tp60 -65.09 -38.48 90.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.787 -0.642 . . . . 1.64 109.569 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 1.14 109.716 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.5 t -57.14 -51.8 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 1.02 110.673 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 m -59.43 -32.57 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.647 -0.251 . . . . 0.88 111.314 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.691 ' HB3' HG23 ' A' ' 30' ' ' VAL . 90.6 mtt-85 -66.13 -31.06 71.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 2.6 110.476 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -82.94 -42.76 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 1.18 110.6 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.514 HG23 ' HE2' ' A' ' 47' ' ' TYR . 49.0 t -62.89 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 1.08 111.096 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -83.03 -11.7 57.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.439 . . . . 1.72 111.202 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.87 51.61 10.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.607 -0.724 . . . . 5.44 110.266 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.81 -155.32 0.44 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.227 -0.897 . . . . 2.79 111.084 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -97.64 177.98 5.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.409 -0.36 . . . . 1.87 110.629 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.8 m170 66.12 29.83 9.69 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.087 0.555 . . . . 0.77 112.151 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.691 HG23 ' HB3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -125.52 115.67 44.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.798 -0.361 . . . . 1.66 111.105 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 p -80.35 150.16 29.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.972 -0.558 . . . . 1.3 109.646 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -57.16 -35.15 69.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.761 0.315 . . . . 1.73 110.796 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -53.94 -46.14 71.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.647 -0.706 . . . . 3.81 111.212 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -83.14 -33.13 26.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.285 -0.416 . . . . 1.21 111.224 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -57.53 -45.94 84.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.908 0.385 . . . . 3.82 111.129 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.3 mt-10 -68.44 -34.38 75.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.668 -0.696 . . . . 1.45 112.742 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.3 ptpt -78.9 -29.56 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.398 -0.521 . . . . 1.59 110.982 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 20' ' ' VAL . 85.4 t -78.12 -40.41 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.883 0.373 . . . . 1.07 110.268 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.68 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 1.59 110.067 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -83.08 -38.79 22.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.411 -0.813 . . . . 1.17 110.821 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.43 89.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 1.08 111.837 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.658 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.0 ptp -69.81 -11.36 60.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.333 -0.394 . . . . 1.11 110.867 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.88 -22.01 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.285 0.564 . . . . 1.23 110.13 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 9.0 mm-40 -82.24 -49.98 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.311 -0.859 . . . . 1.36 110.365 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.0 mt -80.7 -7.36 59.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.754 -1.112 . . . . 2.46 111.56 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 m120 60.94 51.14 4.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.671 0.748 . . . . 2.45 109.97 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.738 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.0 t80 -65.84 132.08 47.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.78 -1.1 . . . . 2.01 111.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.57 112.44 51.3 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 1.83 110.451 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.05 114.15 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.436 2.091 . . . . 0.65 110.923 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.86 100.77 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.379 -0.373 . . . . 0.54 111.707 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -21.16 64.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 5.89 110.766 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.752 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -76.25 -43.53 41.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.4 -0.593 . . . . 0.83 109.4 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.7 66.71 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.716 -0.675 . . . . 1.18 109.246 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.06 -42.49 89.38 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.333 -0.849 . . . . 1.41 109.982 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.42 -39.53 92.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 2.53 109.674 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.51 -54.05 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.67 -0.696 . . . . 1.27 110.987 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.74 97.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 1.24 111.902 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.948 -0.644 . . . . 1.14 112.643 -179.774 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 45' ' ' LEU . 59.1 t . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.679 -0.489 . . . . 1.33 109.679 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -95.86 173.16 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.258 -0.428 . . . . 1.12 109.862 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.645 ' HB2' ' HH ' ' B' ' 47' ' ' TYR . 0.4 OUTLIER -82.47 -5.52 58.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.565 -1.272 . . . . 1.37 107.565 179.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.65 -38.68 28.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.884 -1.507 . . . . 2.18 109.084 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.54 -39.93 95.7 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.447 -0.797 . . . . 1.31 109.813 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.66 -40.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 1.05 111.022 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.478 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -62.73 -55.44 26.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.832 -0.622 . . . . 1.07 111.914 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.17 -46.87 84.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.588 -0.733 . . . . 2.34 111.731 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.57 -44.59 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.369 0.507 . . . . 2.46 112.369 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' B' ' 15' ' ' VAL . . . -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.805 0.336 . . . . 1.18 111.819 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.04 57.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.61 111.952 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' B' ' 13' ' ' ALA . 33.5 m -107.24 167.05 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.766 -0.457 . . . . 1.11 109.766 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 97.0 p -69.66 152.43 44.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.024 -0.732 . . . . 0.78 109.024 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.478 ' HA ' ' HB1' ' B' ' 10' ' ' ALA . 69.5 t80 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.623 0.725 . . . . 2.39 110.137 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -62.24 -38.77 90.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.061 -0.972 . . . . 1.4 111.135 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.443 ' O ' HG21 ' B' ' 23' ' ' VAL . 24.2 m -56.88 -33.75 67.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.81 -0.632 . . . . 1.15 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.429 HG13 HD12 ' B' ' 6' ' ' LEU . 8.1 t -71.41 -56.98 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 1.1 110.424 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 42.8 m -55.51 -28.37 54.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.838 0.351 . . . . 1.34 111.579 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -69.87 -48.8 57.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 3.18 111.555 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.527 HG22 HG11 ' B' ' 30' ' ' VAL . 97.2 t -59.13 -31.28 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.653 0.74 . . . . 1.18 110.044 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.47 -25.47 22.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.799 -1.091 . . . . 1.35 111.344 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.234 0.263 0 N-CA-C 112.348 0.499 . . . . 1.68 112.348 -178.778 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.223 -0.34 0 CA-C-O 120.686 0.279 . . . . 1.63 110.382 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.527 HG11 HG22 ' B' ' 23' ' ' VAL . 39.0 t -57.58 102.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.373 0.606 . . . . 1.84 111.588 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -66.19 157.9 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 1.42 110.395 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.28 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.191 0.441 . . . . 1.59 112.191 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -56.71 -45.57 81.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 3.76 111.592 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.409 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -84.93 -30.44 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.288 -0.414 . . . . 1.34 111.49 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' B' ' 30' ' ' VAL . 73.1 ttt180 -63.77 -52.23 61.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 3.81 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -64.67 -29.86 70.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 2.09 110.779 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 7.5 tppt? -61.45 -43.56 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 2.16 110.105 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.413 ' CG1' HG12 ' B' ' 20' ' ' VAL . 59.4 t -69.76 -48.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.53 -0.759 . . . . 1.14 110.6 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.28 -40.64 82.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.017 -0.538 . . . . 1.79 111.193 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -67.15 -38.06 84.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.386 -0.37 . . . . 1.38 110.613 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -31.87 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.018 -0.537 . . . . 1.14 110.535 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -61.39 -23.73 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.259 0.552 . . . . 1.14 110.159 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.46 -29.98 14.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.825 -0.625 . . . . 1.26 110.395 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 21.9 mm-40 -67.13 -56.77 8.59 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.099 -0.501 . . . . 1.55 110.661 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.52 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -74.88 -16.68 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.621 -0.718 . . . . 1.58 110.824 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 67.12 54.6 0.73 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.428 -1.323 . . . . 1.87 107.428 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.645 ' HH ' ' HB2' ' B' ' 6' ' ' LEU . 2.3 t80 -50.98 115.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.91 -1.495 . . . . 2.23 112.799 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.465 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 32.0 mm -111.45 94.96 24.48 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 107.821 -1.178 . . . . 1.97 107.821 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -29.71 128.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 124.887 3.725 . . . . 0.95 114.946 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 11.2 m-20 -68.52 75.55 0.27 Allowed 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.173 -0.922 . . . . 1.64 110.041 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -50.87 -28.0 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.757 0.651 . . . . 5.46 112.757 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.752 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 77.2 m -74.28 -60.56 2.21 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.378 0.51 . . . . 0.92 112.378 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.46 -23.22 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.255 0.835 . . . . 1.22 113.255 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 42.4 mt-30 -75.5 -44.85 41.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.89 0.314 . . . . 1.49 111.129 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -65.91 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.499 -0.926 . . . . 3.16 108.499 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 12.1 tp -65.97 -70.25 0.25 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.112 -1.404 . . . . 1.2 110.527 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.06 -0.973 . . . . 1.12 111.981 -178.713 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 120.968 0.32 . . . . 1.67 111.7 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 1.27 109.89 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 1.07 110.129 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.887 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 1.11 110.724 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 1.07 109.927 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 1.08 111.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 2.38 111.066 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 1.05 111.243 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 1.12 109.997 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.37 109.175 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.887 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 2.19 110.157 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.64 109.49 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.14 109.71 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' HG21 ' A' ' 24' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 1.02 109.744 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.88 109.977 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.6 110.354 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 1.18 109.712 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 1.08 112.687 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 5.44 111.104 -178.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.79 112.094 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.87 106.701 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.77 111.201 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.66 109.55 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.73 111.249 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.81 110.569 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 1.21 110.957 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.82 110.693 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 1.59 110.921 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 1.07 110.74 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.59 110.332 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 1.17 110.61 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 1.08 111.161 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 1.11 111.123 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 1.23 110.142 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.36 110.435 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 12' ' ' TYR . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 2.46 111.484 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.45 109.414 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 2.01 112.179 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.83 109.988 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.65 111.998 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54 111.287 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.89 110.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.83 109.903 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 1.18 109.945 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.41 109.591 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 55' ' ' GLN . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.53 110.442 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD22 HD23 ' B' ' 56' ' ' LEU . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.27 111.062 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 1.24 110.405 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.14 112.047 178.803 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.602 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 58.5 t . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 121.081 0.467 . . . . 1.33 109.781 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.419 HG21 HD22 ' B' ' 50' ' ' ASN . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 1.12 110.952 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 1.37 108.102 178.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 2.18 109.916 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.31 109.966 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.565 ' HA ' HD22 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 1.05 109.713 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 1.07 111.388 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.34 111.354 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.587 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 2.46 111.894 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 1.18 111.762 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.61 112.242 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 1.11 110.242 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.78 108.313 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 2.39 110.39 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 1.4 110.51 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.581 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 1.15 109.333 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 1.1 108.188 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.34 110.985 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.581 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 3.18 111.322 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.664 HG21 HG12 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 1.18 110.537 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 1.35 112.271 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.68 114.185 -178.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.63 115.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.664 HG12 HG21 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.84 108.828 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.42 111.24 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.59 111.886 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.76 111.19 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.449 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 1.34 111.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.534 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.81 110.579 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.09 110.583 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 2.16 110.419 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.14 110.7 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 1.38 110.301 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 1.14 110.595 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.439 ' HE2' HG12 ' B' ' 38' ' ' VAL . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 1.14 110.437 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.26 110.871 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 1.58 110.845 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.87 107.232 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.561 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 2.23 113.139 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.602 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.97 107.726 177.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.95 115.046 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.668 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.64 110.227 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 5.46 112.831 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.92 112.577 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 1.22 113.353 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 3.16 109.229 178.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 56' ' ' LEU . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 1.2 110.821 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.12 112.711 -178.573 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 ttp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.425 -0.213 . . . . 6.78 110.425 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -108.07 98.84 28.09 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.791 -0.448 . . . . 5.1 109.791 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.66 86.22 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.183 1.922 . . . . 1.67 111.223 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 58.8 t -68.82 132.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.476 -0.783 . . . . 1.27 109.539 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.468 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.1 p -105.47 169.61 8.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.79 -0.641 . . . . 1.07 110.122 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.955 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.85 0.357 . . . . 1.11 111.047 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -76.77 -35.59 57.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.532 -0.544 . . . . 1.04 109.532 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB2' HG11 ' A' ' 4' ' ' VAL . 14.2 m-20 -69.31 -37.58 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 1.75 109.766 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.64 -43.58 70.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.776 . . . . 1.07 109.871 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.88 75.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.285 -0.87 . . . . 1.08 110.575 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -34.8 69.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.634 -0.712 . . . . 2.21 110.885 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 23.9 t80 -77.62 -39.28 45.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 2.38 111.35 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.657 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . . . -84.54 -13.8 50.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.869 0.366 . . . . 1.05 111.402 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.76 36.44 53.14 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.703 -0.76 . . . . 0.52 111.329 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG22 ' HB1' ' A' ' 13' ' ' ALA . 21.8 m -123.56 -166.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.535 . . . . 1.12 110.111 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 26.1 p -100.18 155.85 17.52 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.712 -0.477 . . . . 1.37 109.712 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.955 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 49.7 p90 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 2.19 109.808 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.0 tp60 -68.0 -38.31 82.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.554 -0.748 . . . . 1.64 109.021 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' VAL . 90.3 m -63.37 -45.61 90.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 1.14 109.49 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.7 t -58.14 -49.92 79.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 1.02 110.506 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -35.68 76.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 0.88 110.946 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.909 ' HB3' HG21 ' A' ' 30' ' ' VAL . 77.5 mtt-85 -68.83 -30.73 69.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.403 -0.362 . . . . 2.6 110.378 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 19' ' ' THR . 85.5 t -76.86 -41.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 1.18 109.889 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 20' ' ' VAL . 55.6 t -64.95 -41.7 92.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.818 -0.628 . . . . 1.08 110.309 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.477 HD22 ' P ' ' D' ' 15' ' ' ' DT' . 14.8 m-80 -74.91 -40.88 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.517 -0.765 . . . . 1.72 111.853 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 23.6 mm-40 62.49 64.59 0.92 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.598 -0.519 . . . . 5.44 109.598 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.75 -84.22 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.315 0.487 . . . . 2.79 112.315 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.3 168.02 20.73 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.283 -0.26 . . . . 1.87 110.934 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.784 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 5.3 m170 65.27 25.99 12.21 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.396 0.678 . . . . 0.77 112.103 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG21 ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -120.56 129.23 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 1.66 111.385 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.5 p -98.56 152.87 19.11 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 1.3 108.938 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.96 71.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.947 0.403 . . . . 1.73 110.685 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -57.4 -52.42 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.709 -0.678 . . . . 3.81 111.248 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 p -77.21 -32.15 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 1.21 112.153 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 16.1 ttt180 -58.33 -49.76 76.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.113 0.482 . . . . 3.82 111.016 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -70.06 -20.81 63.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 1.45 111.664 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.657 ' HG2' ' HB3' ' A' ' 13' ' ' ALA . 23.8 ttpt -82.11 -35.33 28.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.269 0.557 . . . . 1.59 110.202 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 20' ' ' VAL . 96.6 t -75.53 -42.25 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.521 -0.763 . . . . 1.07 110.672 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 38.1 mt-10 -64.75 -27.47 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.231 0.538 . . . . 1.59 110.358 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.17 28.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.545 -0.752 . . . . 1.17 110.413 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . . . -69.66 -39.72 76.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.233 -0.439 . . . . 1.08 111.246 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.875 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 16.7 ptp -71.25 -8.42 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.725 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.44 -25.0 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.41 0.624 . . . . 1.23 109.979 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -75.75 -52.36 10.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.197 -0.911 . . . . 1.36 110.687 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -83.79 -8.49 59.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.068 -0.969 . . . . 2.46 112.052 -178.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 63.63 64.98 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.563 0.697 . . . . 2.45 109.689 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.875 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 14.1 t80 -77.13 133.37 39.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.944 -1.025 . . . . 2.01 111.346 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.49 109.48 48.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.253 -0.885 . . . . 1.83 110.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.85 123.27 12.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.788 2.325 . . . . 0.65 111.449 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -85.63 109.63 18.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.856 0.36 . . . . 0.54 111.005 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.35 -26.08 55.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.483 . . . . 5.89 110.418 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.6 OUTLIER -70.77 -40.5 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.332 0.587 . . . . 0.83 109.744 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -69.26 -31.48 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.304 -0.862 . . . . 1.18 109.497 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.422 ' N ' " H4'" ' D' ' 14' ' ' ' DC' . 53.6 tt0 -67.76 -42.91 81.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.422 -0.808 . . . . 1.41 109.596 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.34 -36.6 84.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 2.53 110.127 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD22 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.1 tp -72.75 -50.69 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.615 . . . . 1.27 110.843 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB3' ' O2 ' ' D' ' 14' ' ' ' DC' . . . -58.45 -34.5 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.631 -0.713 . . . . 1.24 111.132 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.05 24.15 26.04 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.76 -0.734 . . . . 1.14 111.858 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.6 tttm 69.62 104.62 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.462 0.705 . . . . 6.76 110.548 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.95 113.11 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.566 -0.743 . . . . 7.2 111.61 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.81 161.1 17.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 7.21 110.595 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.494 -0.765 . . . . 10.03 110.238 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.472 ' HG3' ' HG3' ' B' ' 2' ' ' LYS . 17.8 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.401 -0.222 . . . . 7.98 110.401 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.472 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 24.5 mtmm 56.78 69.92 1.58 Allowed Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 122.75 0.42 . . . . 5.32 111.573 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.82 172.52 14.91 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.343 2.029 . . . . 1.82 112.091 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.702 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 95.4 t -123.32 130.67 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 1.33 109.11 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 18.2 p -88.59 167.79 13.1 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.47 -0.332 . . . . 1.12 110.525 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.831 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -76.95 -8.49 57.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.3 -1.37 . . . . 1.37 107.3 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.819 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 28.8 m-85 -78.38 -38.96 40.56 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.726 -1.579 . . . . 2.18 109.402 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.37 -41.61 96.61 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.527 -0.761 . . . . 1.31 110.018 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' B' ' 41' ' ' ALA . 69.9 t -60.38 -44.92 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.121 -0.945 . . . . 1.05 110.689 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -65.0 -46.83 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 1.07 111.036 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.05 -42.09 84.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.468 -0.787 . . . . 2.34 111.623 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.489 ' CB ' HD23 ' B' ' 45' ' ' LEU . 64.1 t80 -72.22 -41.04 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.119 0.485 . . . . 2.46 110.623 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.45 -23.63 65.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 1.18 111.543 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.4 22.41 51.29 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.61 112.014 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.432 HG11 HG23 ' B' ' 34' ' ' THR . 29.2 m -121.38 172.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.801 0.334 . . . . 1.11 110.207 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.49 152.72 41.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.781 -0.822 . . . . 0.78 108.781 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.52 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.02 -22.49 66.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 2.39 110.767 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.516 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 35.1 mt-30 -74.11 -26.84 60.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 1.4 109.988 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.67 -28.81 70.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.865 -0.607 . . . . 1.15 109.39 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 t -73.86 -49.11 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.458 -0.942 . . . . 1.1 108.458 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.432 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 38.7 t -48.86 -37.32 19.2 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 121.173 0.511 . . . . 1.34 109.994 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.432 ' HB3' ' CG2' ' B' ' 30' ' ' VAL . 35.7 mmt180 -62.37 -61.56 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.767 . . . . 3.18 110.494 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.691 HG21 HG12 ' B' ' 30' ' ' VAL . 61.5 t -56.62 -36.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.45 . . . . 1.18 111.449 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.48 -33.65 45.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.859 -0.609 . . . . 1.35 112.033 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.52 -73.26 0.65 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 113.243 0.831 . . . . 1.68 113.243 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.66 86.05 7.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.679 -0.692 . . . . 4.55 110.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -11.99 12.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.511 -0.768 . . . . 2.15 111.654 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -68.42 150.14 48.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 2.51 109.666 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.48 ' HB3' ' C6 ' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 60.3 25.6 15.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.978 0.511 . . . . 1.63 110.268 -178.011 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.691 HG12 HG21 ' B' ' 23' ' ' VAL . 47.4 t -126.48 105.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.762 -0.458 . . . . 1.84 109.762 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.08 154.85 41.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.567 -0.742 . . . . 1.42 110.311 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.31 73.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.421 -0.354 . . . . 1.59 110.44 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.596 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 14.4 tppt? -53.24 -56.66 14.73 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.179 -0.464 . . . . 3.76 111.207 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.432 HG23 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.22 -39.32 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.345 . . . . 1.34 111.571 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.524 ' HG3' HG11 ' B' ' 23' ' ' VAL . 29.6 ttm180 -59.28 -47.19 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 3.81 111.082 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.51 -40.46 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 2.09 111.424 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 74.2 mttt -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.471 -0.331 . . . . 2.16 111.199 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 34' ' ' THR . 88.2 t -65.74 -43.43 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 1.14 110.422 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.23 -41.33 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 1.79 111.081 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.54 -36.82 76.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 1.38 110.951 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.516 ' HB3' HG13 ' B' ' 9' ' ' VAL . . . -62.49 -30.45 71.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 1.14 111.207 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.408 ' HE2' HG11 ' B' ' 38' ' ' VAL . 66.2 mtt -61.22 -26.1 67.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 1.14 110.875 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.44 -30.93 14.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.932 0.396 . . . . 1.26 110.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.84 -52.34 63.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.164 0.507 . . . . 1.55 110.852 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.503 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -84.35 -15.44 46.43 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.791 -0.64 . . . . 1.58 110.964 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.469 ' O ' HG13 ' B' ' 48' ' ' ILE . 1.4 t30 67.4 58.17 0.54 Allowed 'General case' 0 N--CA 1.46 0.044 0 N-CA-C 107.48 -1.304 . . . . 1.87 107.48 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.568 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -50.82 113.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.076 -1.42 . . . . 2.23 113.566 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.702 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 61.4 mt -123.2 94.39 47.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 114.524 -1.216 . . . . 1.97 107.875 176.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -38.67 138.81 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 124.256 3.304 . . . . 0.95 114.976 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.444 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.3 m120 -62.59 97.13 0.09 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.281 -0.872 . . . . 1.64 109.216 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 51' ' ' ARG . 52.0 mtm-85 -55.25 -32.93 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.117 0.414 . . . . 5.46 112.117 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 35.0 m -81.74 -56.8 3.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.925 0.342 . . . . 0.92 111.925 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.538 ' HB3' " O4'" ' C' ' 13' ' ' ' DG' . . . -66.52 -38.88 88.15 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.434 0.902 . . . . 1.22 113.434 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 12.9 mt-30 -71.18 -46.94 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.055 -0.258 . . . . 1.49 111.362 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -57.75 -37.06 72.95 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.681 0.753 . . . . 3.16 108.992 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.939 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.4 tp -66.11 -66.65 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.318 -1.31 . . . . 1.2 111.13 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.638 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -51.5 -31.58 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 124.172 0.92 . . . . 1.12 113.081 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.02 45.36 0.34 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.138 -1.03 . . . . 2.13 113.6 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -153.77 65.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.21 0.528 . . . . 5.3 110.627 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -71.11 -50.05 37.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.798 -0.637 . . . . 8.03 109.942 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m 48.14 63.51 2.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.841 -0.618 . . . . 7.32 112.209 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.0 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.313 -0.851 . . . . 8.36 111.188 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.495 ' H8 ' " O5'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 O4'-C1'-C2' 107.095 0.905 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.404 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.749 ' C8 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.206 1.006 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.749 ' H73' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.499 0 O4'-C1'-C2' 107.166 0.969 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.784 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 N19-C1'-C2' 116.642 1.526 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.532 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-N19 108.644 1.055 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.423 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.983 0.803 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.51 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.04 0.855 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.51 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C4'-C3'-C2' 102.24 -0.96 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.493 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.427 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.465 -0.735 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.643 " H1'" " C5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.445 1.096 0 C2'-C3'-O3' 115.794 1.924 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.819 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.902 2.627 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.831 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.491 0 O4'-C1'-N19 105.884 -2.395 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.432 ' H73' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 P-O3'-C3' 120.824 0.937 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.407 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C4'-C3'-C2' 102.332 -0.868 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.407 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 102.273 -0.927 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 O4'-C1'-C2' 106.983 0.803 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 102.17 -1.03 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.494 " H5'" " H1'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 102.315 -0.885 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.46 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.126 0.933 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.448 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.432 -0.498 0 N19-C1'-C2' 115.846 1.029 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.421 " O5'" ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 O4'-C1'-C2' 107.123 0.93 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.051 0.865 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.618 ' C8 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.069 0.881 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.618 ' H71' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 N19-C1'-C2' 116.072 1.17 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.5 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 N19-C1'-C2' 116.172 1.232 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.634 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 C4'-C3'-C2' 102.248 -0.952 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.634 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.151 0.956 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.537 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.138 0.943 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.537 " H5'" " H1'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 O4'-C1'-N19 108.51 0.888 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.526 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 108.726 1.157 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.458 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.74 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-O3' 113.722 1.555 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.939 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 N19-C1'-C2' 116.541 1.463 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.622 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.615 2.269 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.477 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 102.417 -0.783 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.451 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.142 0.948 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.481 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 102.402 -0.798 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.481 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.067 0.879 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 102.338 -0.862 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.5 " C2'" ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.072 0.884 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.515 " H1'" " H5'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 N19-C1'-C2' 115.663 0.914 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.515 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.03 0.845 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.495 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.01 0.827 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttm . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.38 -0.23 . . . . 6.78 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -77.64 117.96 68.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 5.1 110.275 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.8 138.19 52.41 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.193 2.596 . . . . 1.67 112.202 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.969 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.3 t -85.07 137.89 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.857 -0.611 . . . . 1.27 109.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.56 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -104.24 168.7 8.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.882 -0.599 . . . . 1.07 110.32 -179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.82 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -63.15 -16.65 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 1.11 111.233 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 73.6 m-85 -75.94 -38.7 57.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.04 110.301 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.75 78.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.75 110.183 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.32 -41.64 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.686 -0.688 . . . . 1.07 109.59 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.27 96.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 1.08 111.073 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.6 mm-40 -66.18 -30.73 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 2.21 111.423 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 31.4 t80 -80.98 -35.11 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.692 0.282 . . . . 2.38 111.191 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -86.09 -11.42 52.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 1.05 111.443 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 38.82 53.52 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.979 -0.848 . . . . 0.52 110.979 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 13' ' ' ALA . 31.0 m -132.61 -169.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.481 . . . . 1.12 110.178 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -98.1 154.76 17.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.851 -0.613 . . . . 1.37 109.64 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.82 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 40.9 p90 -58.34 -32.49 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 2.19 110.504 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.701 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -67.3 -36.31 81.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.86 -0.609 . . . . 1.64 110.075 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -61.7 -43.77 98.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.094 -0.706 . . . . 1.14 109.094 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.2 t -60.32 -45.98 95.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.702 -1.135 . . . . 1.02 109.957 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -58.78 -36.06 73.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.88 110.984 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.745 ' HB3' HG21 ' A' ' 30' ' ' VAL . 33.3 mmt180 -63.09 -38.12 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.109 0.481 . . . . 2.6 109.737 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG23 ' HA ' ' A' ' 35' ' ' ARG . 59.9 t -75.56 -42.75 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.427 -0.806 . . . . 1.18 111.049 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.8 t -64.04 -43.79 97.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.923 -0.581 . . . . 1.08 110.392 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -31.11 64.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 1.72 111.407 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.45 35.11 14.98 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.494 0.664 . . . . 5.44 109.907 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.15 -137.15 0.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.12 -0.945 . . . . 2.79 111.102 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 m -92.28 170.79 9.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.443 -0.344 . . . . 1.87 110.967 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.683 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.2 m170 64.99 32.8 10.24 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.544 0.738 . . . . 0.77 112.016 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.745 HG21 ' HB3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -123.61 116.67 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.185 0.517 . . . . 1.66 111.84 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 90.7 p -90.43 152.35 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.763 -0.653 . . . . 1.3 109.337 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.86 -34.54 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 1.73 110.55 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.94 -52.77 47.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.779 -0.646 . . . . 3.81 111.276 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.748 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -81.88 -30.92 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 1.21 111.835 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HA ' HG23 ' A' ' 23' ' ' VAL . 31.0 ttm180 -57.53 -38.71 75.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 3.82 111.094 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.5 mt-10 -79.05 -28.76 43.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.677 0.621 . . . . 1.45 112.677 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.2 ptpt -82.42 -31.27 29.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.187 -0.605 . . . . 1.59 110.823 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 20' ' ' VAL . 97.9 t -75.88 -39.51 37.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.21 -0.45 . . . . 1.07 110.329 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.49 -30.75 71.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.253 0.549 . . . . 1.59 109.963 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.1 -41.73 27.96 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.545 -0.752 . . . . 1.17 110.682 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.87 92.04 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.98 0.419 . . . . 1.08 111.555 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.641 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 21.0 ptp -71.65 -8.64 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.11 111.26 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.03 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 1.23 109.984 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 mm-40 -72.65 -56.62 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.36 110.805 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -80.03 -9.68 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.824 -1.08 . . . . 2.46 112.273 -178.094 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 68.34 63.02 0.36 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.713 0.768 . . . . 2.45 109.173 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.969 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.4 t80 -66.79 138.53 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.743 -1.117 . . . . 2.01 111.714 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mm -112.3 105.87 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.525 -0.761 . . . . 1.83 110.916 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 108.06 2.02 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.693 2.262 . . . . 0.65 111.338 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.8 101.91 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 0.54 111.433 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.3 mmt180 -71.09 -23.86 62.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 5.89 110.421 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.668 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -73.77 -39.42 64.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.83 109.51 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.531 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.22 -32.02 71.94 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.655 -0.702 . . . . 1.18 109.491 177.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.26 -37.41 87.12 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.155 -0.93 . . . . 1.41 110.002 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 85.4 mm-40 -67.63 -37.73 82.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.748 -0.66 . . . . 2.53 110.536 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.687 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.8 tp -74.37 -53.38 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.21 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.558 ' HB2' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.31 -35.18 76.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.652 -0.704 . . . . 1.24 112.351 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' HA2' " H4'" ' D' ' 15' ' ' ' DT' . . . -72.6 -2.47 55.96 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 1.14 113.056 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 55.45 31.57 17.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.085 0.469 . . . . 6.76 110.297 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 56.13 36.37 27.28 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.199 -0.91 . . . . 7.2 111.077 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -142.13 74.43 1.45 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.641 -0.708 . . . . 7.21 110.63 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.295 -0.859 . . . . 10.03 110.464 -179.734 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.6 mtt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.876 0.37 . . . . 7.98 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -124.84 157.66 65.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.075 -0.713 . . . . 5.32 109.075 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.739 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 14.2 Cg_exo -70.38 80.08 1.09 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.532 2.155 . . . . 1.82 111.059 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.716 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.8 t -57.85 132.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.242 -0.89 . . . . 1.33 109.975 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.435 HG22 ' OP1' ' C' ' 13' ' ' ' DG' . 20.1 p -87.68 172.3 9.8 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.362 -0.381 . . . . 1.12 110.157 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.819 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -76.21 -12.23 60.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.822 -1.177 . . . . 1.37 107.822 179.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.765 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 19.6 m-85 -76.24 -44.44 37.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.335 -1.302 . . . . 2.18 109.054 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.462 ' HB2' HG11 ' B' ' 4' ' ' VAL . 32.1 m-20 -64.14 -41.29 97.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.618 -0.719 . . . . 1.31 110.347 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.432 HG21 ' O ' ' B' ' 5' ' ' THR . 64.9 t -58.72 -41.23 81.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.98 -0.554 . . . . 1.05 110.721 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.634 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.58 -52.93 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.556 -0.747 . . . . 1.07 111.728 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.6 mt-10 -60.44 -37.51 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.34 111.233 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.429 ' CD1' HD23 ' B' ' 45' ' ' LEU . 87.4 t80 -64.08 -38.85 92.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 2.46 110.718 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.744 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -76.96 -26.53 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.017 -0.538 . . . . 1.18 111.234 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 -1.66 52.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.082 -0.58 . . . . 0.61 112.221 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.412 HG11 HG21 ' B' ' 34' ' ' THR . 30.7 m -95.34 178.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 122.277 0.231 . . . . 1.11 110.738 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -81.05 154.36 26.89 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.428 -0.952 . . . . 0.78 108.428 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.634 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.05 -18.7 63.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.867 0.365 . . . . 2.39 111.01 -179.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.53 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 33.9 mt-30 -83.16 -17.37 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 1.4 110.611 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -65.85 -29.87 70.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.102 -1.074 . . . . 1.15 108.102 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.409 HG11 ' CG1' ' B' ' 38' ' ' VAL . 5.1 t -72.85 -50.75 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.891 -1.05 . . . . 1.1 108.793 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.481 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 1.8 m -47.12 -36.99 9.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.925 -0.58 . . . . 1.34 111.249 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -56.67 -60.69 3.18 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.505 -0.771 . . . . 3.18 111.229 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 14.1 t -65.45 -36.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.242 -0.435 . . . . 1.18 111.787 -178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.74 -38.15 77.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.888 -0.596 . . . . 1.35 112.255 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.406 HD22 ' P ' ' C' ' 15' ' ' ' DT' . 42.1 m-80 -98.2 -75.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.513 . . . . 1.68 111.397 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.466 HE21 ' HB3' ' B' ' 26' ' ' GLN . 4.2 mm100 -118.29 84.98 2.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.615 -0.72 . . . . 4.55 109.4 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.643 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . -50.77 95.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.079 0.862 . . . . 2.15 112.131 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.0 p -167.99 -178.41 3.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.599 -1.26 . . . . 2.51 107.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.825 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 2.7 m170 59.32 32.92 22.25 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.222 0.534 . . . . 1.63 109.883 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.27 136.52 56.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 1.84 109.089 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.438 ' HG ' ' P ' ' D' ' 5' ' ' ' DT' . 0.0 OUTLIER -86.77 41.26 0.95 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.552 -0.295 . . . . 1.42 111.56 -178.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 67.84 -61.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.579 0.751 . . . . 1.59 111.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -59.17 -36.64 75.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 3.76 110.837 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.49 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -64.64 -45.11 88.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.334 179.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -62.63 -46.55 87.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.965 -0.562 . . . . 3.81 110.536 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.12 -38.59 91.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.62 -0.718 . . . . 2.09 110.893 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.744 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.6 ttpt -66.55 -38.68 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 2.16 111.287 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 34' ' ' THR . 95.2 t -70.8 -49.69 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 1.14 110.632 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.24 -38.99 85.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.769 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.02 -40.13 83.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.38 110.358 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.71 68.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.18 0.514 . . . . 1.14 110.808 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtt -64.0 -21.72 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.452 -0.794 . . . . 1.14 110.484 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.48 -33.17 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 1.26 111.213 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.4 mm-40 -62.07 -44.65 96.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.263 -0.426 . . . . 1.55 111.132 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -99.28 -9.57 23.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 1.58 111.827 -179.197 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t30 67.36 65.73 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.789 -0.819 . . . . 1.87 108.789 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.716 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.8 t80 -56.62 119.99 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.755 -1.111 . . . . 2.23 112.352 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.739 ' HB ' ' HA ' ' B' ' 3' ' ' PRO . 35.1 mm -124.89 96.01 41.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 107.971 -1.122 . . . . 1.97 107.971 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.01 134.75 10.86 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.244 2.63 . . . . 0.95 113.326 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -58.17 95.73 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.726 -0.67 . . . . 1.64 109.907 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -51.23 -32.51 24.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.002 0.741 . . . . 5.46 113.002 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.668 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.9 m -81.63 -54.41 5.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.946 0.351 . . . . 0.92 111.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.62 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -72.94 -37.02 67.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.182 0.808 . . . . 1.22 113.182 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.563 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 6.9 mm-40 -68.0 -54.47 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.417 0.155 . . . . 1.49 111.417 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -58.65 -32.0 68.68 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.083 0.468 . . . . 3.16 110.307 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.868 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -67.24 -65.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.811 -1.086 . . . . 1.2 110.46 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.717 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -55.06 -37.66 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.305 1.003 . . . . 1.12 112.575 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.81 -54.39 0.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.397 -0.906 . . . . 2.13 112.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.537 ' HG2' ' HB3' ' B' ' 54' ' ' GLN . 5.7 tmtt? 62.83 89.5 0.09 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.352 0.596 . . . . 5.3 110.976 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.87 131.52 53.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.554 -0.748 . . . . 8.03 109.916 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -133.81 105.39 6.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 7.32 110.353 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.302 -0.856 . . . . 8.36 110.367 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.48 0 O4'-C1'-C2' 107.183 0.985 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 102.216 -0.984 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.724 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.888 0 N19-C1'-C2' 115.782 0.988 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.724 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 107.146 0.951 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.683 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.44 0.694 0 N19-C1'-C2' 116.405 1.378 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.515 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 O4'-C1'-N19 108.609 1.011 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.452 ' H72' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.351 -0.849 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.467 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-C2' 107.055 0.869 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.482 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 102.243 -0.957 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.482 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-N19 108.554 0.943 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.503 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C4'-C3'-C2' 102.33 -0.87 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.687 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.251 0 C2'-C3'-O3' 115.63 1.863 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.765 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-N19 109.749 2.437 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.819 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.408 0 C5'-C4'-C3' 118.084 2.256 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.492 ' OP2' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 P-O3'-C3' 120.981 1.067 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.469 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.591 0.988 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.494 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 106.929 0.754 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.424 ' C6 ' ' N6 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.242 1.039 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.478 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.483 ' C6 ' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.151 0.956 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.483 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 N19-C1'-C2' 115.549 0.843 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.448 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.702 0.938 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.441 " H1'" " H5'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.075 0.886 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.441 " H5'" " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.238 -0.962 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.707 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.163 0.966 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.707 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 115.889 1.055 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.825 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.442 0.812 0 C2'-C3'-O3' 114.504 1.446 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.625 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 P-O3'-C3' 120.912 1.01 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.625 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 115.955 0.837 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.411 ' C4 ' ' N6 ' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C5'-C4'-C3' 116.21 1.007 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.519 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C2'-C3'-O3' 113.368 1.025 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.519 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-N19 108.512 0.89 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.803 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.735 0 C4'-C3'-O3' 113.295 1.361 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.868 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 N19-C1'-C2' 116.253 1.283 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.596 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 109.519 2.148 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.558 " H5'" ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.185 0 C5'-C4'-C3' 116.122 0.948 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.5 ' H42' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.11 0.919 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 102.406 -0.794 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.476 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.08 0.891 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.222 -0.978 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.537 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.151 -1.049 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.537 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.08 0.891 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.466 ' H73' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.356 -0.844 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 106.958 0.78 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.994 0.425 . . . . 6.78 110.625 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -120.91 104.71 41.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.283 0.563 . . . . 5.1 110.965 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.16 114.23 3.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.851 2.367 . . . . 1.67 111.647 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.891 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 98.5 t -71.75 142.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 1.27 110.168 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.588 HG21 H5'' ' D' ' 13' ' ' ' DG' . 1.5 p -106.69 165.14 11.52 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.674 -0.694 . . . . 1.07 110.003 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.964 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.1 pt? -67.02 -12.92 61.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.774 0.321 . . . . 1.11 110.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -77.49 -37.67 50.7 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.064 -0.517 . . . . 1.04 109.659 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.88 -39.15 83.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.725 -0.67 . . . . 1.75 109.691 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.18 -44.12 81.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.403 -0.817 . . . . 1.07 110.052 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.8 92.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.482 -0.781 . . . . 1.08 110.9 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.26 -32.22 69.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 2.21 111.124 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.66 -35.12 39.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 2.38 111.377 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -87.15 -11.84 48.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.963 0.411 . . . . 1.05 111.068 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.31 31.95 53.27 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 111.398 -0.681 . . . . 0.52 111.398 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' A' ' 13' ' ' ALA . 31.4 m -124.12 -166.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.373 . . . . 1.12 110.279 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.452 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 27.3 p -104.52 155.15 19.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.327 -0.619 . . . . 1.37 109.327 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.964 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.6 p90 -61.04 -30.19 70.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.977 0.418 . . . . 2.19 110.291 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.4 -36.76 79.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.129 -0.693 . . . . 1.64 109.129 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' HG21 ' A' ' 23' ' ' VAL . 86.3 m -64.01 -40.9 97.37 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.148 -0.686 . . . . 1.14 109.148 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.516 ' O ' HG21 ' A' ' 24' ' ' VAL . 63.2 t -59.64 -48.77 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.219 -0.901 . . . . 1.02 109.427 177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -61.96 -35.37 78.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.914 -0.584 . . . . 0.88 110.146 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.783 ' HG3' HG21 ' A' ' 30' ' ' VAL . 9.0 tpp180 -62.9 -35.94 81.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 2.6 110.069 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.618 HG11 ' HG3' ' A' ' 35' ' ' ARG . 99.0 t -80.79 -46.18 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.593 -0.73 . . . . 1.18 111.089 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 20' ' ' VAL . 59.8 t -63.27 -42.51 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.998 -0.547 . . . . 1.08 111.34 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -23.61 54.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.929 0.395 . . . . 1.72 111.065 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 59.55 46.5 12.0 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.42 -0.809 . . . . 5.44 110.28 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.14 -141.58 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.79 111.099 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.56 176.32 6.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.846 -0.427 . . . . 1.87 109.846 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.535 ' HB3' ' H71' ' C' ' 5' ' ' ' DT' . 0.4 OUTLIER 59.81 33.29 21.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.39 0.515 . . . . 0.77 112.39 -179.615 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.783 HG21 ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -118.45 122.99 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.506 -0.478 . . . . 1.66 111.257 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.0 p -101.64 151.93 21.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.743 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.21 77.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.935 0.346 . . . . 1.73 111.935 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -53.83 -49.02 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.176 -0.465 . . . . 3.81 111.29 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.591 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -79.06 -36.18 41.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.969 -0.559 . . . . 1.21 111.64 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.618 ' HG3' HG11 ' A' ' 23' ' ' VAL . 28.3 ttt180 -55.04 -49.18 72.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 3.82 111.87 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.7 -30.25 66.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.06 0.763 . . . . 1.45 113.06 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.591 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.6 ptpt -79.42 -27.71 41.73 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.229 -0.588 . . . . 1.59 110.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 34' ' ' THR . 97.0 t -80.57 -41.34 20.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.228 -0.442 . . . . 1.07 110.082 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.98 -26.79 68.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 1.59 110.041 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -41.84 18.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.591 -0.731 . . . . 1.17 110.826 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.24 86.9 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 1.08 111.21 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.786 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 23.3 ptp -72.49 -9.25 58.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 1.11 110.564 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.53 -20.46 20.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 1.23 109.941 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -76.13 -56.3 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.325 -0.852 . . . . 1.36 110.764 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.25 -11.19 59.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.677 -1.147 . . . . 2.46 111.066 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 66.65 64.83 0.48 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.494 -0.775 . . . . 2.45 109.365 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.891 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 14.6 t80 -76.17 129.44 36.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.798 -1.092 . . . . 2.01 111.145 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.64 110.4 49.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 1.83 109.952 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.49 114.93 2.16 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.65 111.547 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -75.1 103.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.895 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.7 -22.96 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 5.89 110.878 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.776 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -71.89 -40.41 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.43 -0.582 . . . . 0.83 109.43 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -72.48 -30.19 64.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 1.18 109.83 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.89 -37.27 84.09 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.692 -0.685 . . . . 1.41 109.826 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -72.03 -24.16 61.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.244 0.545 . . . . 2.53 110.171 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD12 " O4'" ' C' ' 12' ' ' ' DG' . 13.1 tp -81.05 -54.61 5.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 1.27 110.062 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB2' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.52 -34.89 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.508 -0.769 . . . . 1.24 111.13 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 59' ' ' LYS . . . -80.38 -0.36 86.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.839 -0.696 . . . . 1.14 112.431 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HG2' ' C ' ' A' ' 58' ' ' GLY . 4.7 ptpp? 39.81 -138.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.114 0.966 . . . . 6.76 112.052 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -102.37 83.53 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 7.2 110.735 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -124.83 101.73 7.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 7.21 110.552 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--O 1.252 1.217 0 CA-C-O 118.081 -0.961 . . . . 10.03 110.865 -179.37 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.384 -0.228 . . . . 7.98 110.384 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt 62.09 70.56 0.82 Allowed Pre-proline 0 C--O 1.234 0.283 0 O-C-N 123.887 0.742 . . . . 5.32 111.615 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -79.04 115.25 3.5 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.425 2.083 . . . . 1.82 112.222 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.63 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 66.4 t -83.55 145.34 8.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.045 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.433 HG21 ' ND2' ' B' ' 50' ' ' ASN . 17.6 p -96.08 166.57 11.69 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.005 -0.543 . . . . 1.12 110.299 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.831 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -77.68 -10.91 59.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.632 -1.247 . . . . 1.37 107.632 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.775 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 25.9 m-85 -76.0 -40.8 52.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 113.535 -1.666 . . . . 2.18 109.748 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -60.72 -38.45 85.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.684 -0.689 . . . . 1.31 110.33 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.656 ' HA ' HD21 ' B' ' 45' ' ' LEU . 45.5 t -63.83 -39.2 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.254 -0.884 . . . . 1.05 110.967 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.601 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -72.59 -48.84 36.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 1.07 111.744 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.9 -31.33 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.694 -0.685 . . . . 2.34 111.965 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.431 ' CB ' HD23 ' B' ' 45' ' ' LEU . 83.2 t80 -79.37 -38.77 34.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.345 -0.388 . . . . 2.46 111.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.58 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -74.44 -21.99 59.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 1.18 111.893 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.36 38.15 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.974 -0.632 . . . . 0.61 112.597 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.462 HG11 HG23 ' B' ' 34' ' ' THR . 21.1 m -119.14 179.15 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.953 -0.388 . . . . 1.11 109.953 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -75.72 156.62 34.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.589 -0.893 . . . . 0.78 108.589 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.601 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.68 -22.14 66.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.461 0.648 . . . . 2.39 109.364 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -76.06 -23.87 55.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.608 -0.724 . . . . 1.4 110.646 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.8 m -62.41 -36.87 83.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.006 -0.739 . . . . 1.15 109.006 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.455 HG21 HG11 ' B' ' 38' ' ' VAL . 62.1 t -75.37 -39.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.947 -1.024 . . . . 1.1 108.863 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.555 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 1.9 t -57.37 -34.17 68.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.416 -0.811 . . . . 1.34 110.462 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 22.4 mmt180 -64.44 -48.07 76.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.679 -0.691 . . . . 3.18 111.074 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.888 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 9.2 t -67.16 -38.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 1.18 110.104 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.525 HG22 HD13 ' B' ' 6' ' ' LEU . 20.7 t -65.62 -37.58 80.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.35 111.142 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.29 -74.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 1.68 110.961 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -146.35 16.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.786 -0.643 . . . . 4.55 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.888 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . 57.87 42.98 22.31 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.727 -0.67 . . . . 2.15 110.881 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' B' ' 22' ' ' ARG . 7.9 t -111.19 156.52 21.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 2.51 109.677 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 60.62 33.55 20.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.013 0.525 . . . . 1.63 111.194 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -135.21 123.49 39.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.398 -0.593 . . . . 1.84 109.398 178.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.43 ' HG ' ' P ' ' D' ' 5' ' ' ' DT' . 0.3 OUTLIER -83.88 171.94 12.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.279 -0.419 . . . . 1.42 111.067 -178.544 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.11 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.065 0.394 . . . . 1.59 112.065 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -66.46 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.379 0.511 . . . . 3.76 112.379 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.463 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.7 OUTLIER -95.88 -44.9 7.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.91 0.708 . . . . 1.34 112.91 -178.117 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.498 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 75.9 ttt180 -57.03 -53.39 58.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.764 0.316 . . . . 3.81 111.378 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.75 -28.25 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.386 -0.37 . . . . 2.09 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.58 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 22.1 ttmm -69.72 -42.4 74.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.378 -0.374 . . . . 2.16 110.149 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.535 HG12 ' HE1' ' B' ' 42' ' ' MET . 77.6 t -63.74 -49.44 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 1.14 110.28 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 38.7 mt-10 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 1.79 110.86 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.74 63.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 1.38 110.713 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.495 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -62.67 -28.77 70.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.535 . . . . 1.14 111.187 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.535 ' HE1' HG12 ' B' ' 38' ' ' VAL . 65.8 mtt -59.39 -26.71 65.34 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.222 -0.445 . . . . 1.14 110.621 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.06 -38.71 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.515 . . . . 1.26 110.832 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.67 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.729 -0.669 . . . . 1.55 110.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' B' ' 9' ' ' VAL . 0.3 OUTLIER -86.08 -10.81 54.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.305 -0.407 . . . . 1.58 111.748 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 62.03 51.48 3.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.146 -1.427 . . . . 1.87 107.146 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -59.27 108.77 0.74 Allowed 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 114.023 -1.444 . . . . 2.23 113.245 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.474 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 44.1 mm -120.32 94.14 48.56 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 106.513 -1.662 . . . . 1.97 106.513 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.44 119.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 124.633 3.555 . . . . 0.95 114.195 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.433 ' ND2' HG21 ' B' ' 5' ' ' THR . 3.4 p-10 -67.19 88.34 0.17 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.403 -0.817 . . . . 1.64 110.339 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -51.41 -31.02 21.25 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.614 -1.175 . . . . 5.46 112.697 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.776 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.9 m -54.82 -49.91 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.836 0.351 . . . . 0.92 111.524 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.505 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -93.42 -24.09 18.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 1.22 111.453 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.01 -40.07 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.555 -0.293 . . . . 1.49 110.855 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.88 -38.51 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.428 -0.952 . . . . 3.16 108.428 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.941 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 8.3 tp -58.0 -67.19 0.37 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.749 -1.114 . . . . 1.2 110.203 177.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.771 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -69.64 -80.29 0.05 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 1.12 111.329 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' B' ' 59' ' ' LYS . . . 54.34 63.04 5.54 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 116.22 -0.445 . . . . 2.13 113.338 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' B' ' 58' ' ' GLY . 53.7 mttt 70.4 120.81 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.316 0.579 . . . . 5.3 111.603 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -75.55 -20.73 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.654 . . . . 8.03 110.755 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -138.12 128.4 26.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 7.32 109.882 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.36 -0.828 . . . . 8.36 110.674 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.143 0.948 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 O4'-C1'-C2' 107.185 0.986 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.67 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.243 1.039 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.67 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 N19-C1'-C2' 115.869 1.043 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.57 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 N19-C1'-C2' 116.338 1.336 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.481 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 C4'-C3'-C2' 102.328 -0.872 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.535 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C4'-C3'-C2' 102.324 -0.876 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.535 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.084 0.894 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.464 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 C4'-C3'-C2' 102.29 -0.91 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.464 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.405 ' C5 ' ' C4 ' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.477 -0.723 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.641 " H1'" " C5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.448 1.278 0 C2'-C3'-O3' 115.428 1.788 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.775 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C1'-N19 109.319 1.899 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.831 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.52 0 C5'-C4'-C3' 118.142 2.295 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.51 " H5'" " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.077 0.888 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.433 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.086 0.896 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.518 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 102.308 -0.892 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.518 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 106.988 0.807 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.522 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.344 -0.856 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.522 ' H72' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.28 -0.92 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.52 ' C6 ' ' H73' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.065 0.877 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.52 ' H73' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.036 0.851 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O5'-C5'-C4' 111.461 0.9 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.423 " H1'" " H5'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 107.1 0.909 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.61 ' C8 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 O4'-C1'-C2' 107.197 0.997 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.61 ' H71' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.554 0 N19-C1'-C2' 116.355 1.347 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.453 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 N19-C1'-C2' 116.256 1.285 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.58 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 102.17 -1.03 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.58 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-C2' 107.025 0.841 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 107.047 0.861 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C5'-C4'-C3' 116.516 1.211 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.449 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 C4'-C3'-C2' 102.419 -0.781 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-C2' 107.088 0.898 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.702 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-O3' 113.157 1.299 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.941 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.052 0 N19-C1'-C2' 116.639 1.525 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.618 ' OP2' ' HB3' ' A' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.626 2.283 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.532 " H5'" ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.493 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.006 0.824 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.45 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C4'-C3'-C2' 102.265 -0.935 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.45 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 107.154 0.959 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.392 -0.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.507 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O4'-C1'-C2' 107.126 0.932 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.517 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.391 0.739 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.517 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.461 ' N4 ' ' C4 ' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 N19-C1'-C2' 115.409 0.755 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.909 -0.404 . . . . 6.78 109.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.573 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 28.4 mtpp -69.8 -52.73 13.06 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.517 -0.311 . . . . 5.1 111.618 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 16.8 Cg_exo -66.75 134.38 34.8 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.854 1.703 . . . . 1.67 111.854 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 82.4 t -73.25 135.53 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.394 -0.595 . . . . 1.27 109.394 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -105.39 174.23 5.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.26 -0.427 . . . . 1.07 110.612 -178.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.752 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -65.16 -17.67 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.498 -0.319 . . . . 1.11 110.563 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -75.17 -38.43 60.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 1.04 109.944 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.535 ' HB2' HG11 ' A' ' 4' ' ' VAL . 53.5 m-20 -66.92 -38.73 86.75 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.13 0.491 . . . . 1.75 109.846 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.84 -44.61 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 1.07 109.754 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.85 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.027 -0.988 . . . . 1.08 110.83 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.05 -32.91 69.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.067 -0.515 . . . . 2.21 111.787 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' HB2' HD12 ' A' ' 45' ' ' LEU . 32.5 t80 -78.06 -35.89 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.575 -0.284 . . . . 2.38 111.477 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . . . -86.46 -18.09 32.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.869 0.366 . . . . 1.05 111.38 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 36.69 15.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.685 -0.769 . . . . 0.52 111.378 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 37' ' ' LYS . 31.4 m -128.95 -174.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.087 -0.338 . . . . 1.12 110.087 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.52 155.49 16.72 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.693 -0.484 . . . . 1.37 109.693 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.752 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 33.6 p90 -59.11 -33.69 71.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.808 0.337 . . . . 2.19 110.727 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.1 tp60 -65.33 -35.54 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.278 -0.638 . . . . 1.64 109.278 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -63.24 -42.8 99.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.14 109.812 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 24' ' ' VAL . 83.6 t -60.5 -46.35 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.358 -0.837 . . . . 1.02 110.041 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -59.2 -31.78 69.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.743 -0.662 . . . . 0.88 111.023 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 37.7 mmt180 -63.01 -29.18 70.62 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.241 -0.436 . . . . 2.6 110.599 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.644 HG22 HG13 ' A' ' 30' ' ' VAL . 13.3 t -92.62 -48.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 1.18 111.376 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 20' ' ' VAL . 60.4 t -52.07 -48.34 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.711 -0.677 . . . . 1.08 112.664 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -109.99 5.99 22.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.736 -0.386 . . . . 1.72 111.42 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 47.0 mt-30 54.02 57.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.768 . . . . 5.44 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.89 30.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.424 -0.807 . . . . 2.79 111.384 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.506 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 7.5 t 60.59 -172.82 0.13 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.37 -0.832 . . . . 1.87 111.219 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 58.25 34.88 24.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.155 -0.475 . . . . 0.77 111.805 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG13 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -127.83 131.1 70.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.014 0.435 . . . . 1.66 110.948 178.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.426 ' HG ' " C3'" ' C' ' 4' ' ' ' DT' . 2.7 p -101.01 169.44 8.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.359 -0.837 . . . . 1.3 109.962 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.75 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.641 0.258 . . . . 1.73 110.808 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -52.99 -46.37 68.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.836 -0.62 . . . . 3.81 111.324 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.616 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -83.16 -41.12 18.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 1.21 111.861 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.573 ' HG3' HG11 ' A' ' 23' ' ' VAL . 28.8 ttt180 -60.33 -38.7 84.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.86 0.318 . . . . 3.82 111.86 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.01 -9.51 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.39 0.515 . . . . 1.45 112.39 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -103.14 -29.87 11.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 1.59 110.351 179.056 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG11 ' HE1' ' A' ' 42' ' ' MET . 92.5 t -76.72 -45.82 31.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 1.07 110.706 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HG3' HG13 ' A' ' 23' ' ' VAL . 40.6 mt-10 -68.02 -20.37 64.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.222 0.534 . . . . 1.59 110.113 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -84.8 -43.53 14.11 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.507 -0.77 . . . . 1.17 109.834 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.59 86.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.08 111.087 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.784 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.2 ptp -71.9 -11.37 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.09 -0.505 . . . . 1.11 111.064 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.32 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 1.23 109.72 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -72.37 -57.67 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.319 -0.855 . . . . 1.36 111.103 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.28 -9.88 59.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.831 -1.077 . . . . 2.46 111.918 -178.367 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.1 m120 67.75 63.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.618 0.723 . . . . 2.45 109.667 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.904 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.1 t80 -65.62 136.35 56.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.649 -1.16 . . . . 2.01 111.862 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 mm -109.06 107.29 59.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.412 -0.813 . . . . 1.83 111.007 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.69 111.58 2.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.684 2.256 . . . . 0.65 110.512 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.436 ' ND2' " H4'" ' D' ' 13' ' ' ' DG' . 48.3 m-80 -79.87 112.83 17.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.54 111.802 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -76.97 -22.02 53.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.563 -0.744 . . . . 5.89 110.558 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -48.85 21.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.912 -0.586 . . . . 0.83 109.847 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.493 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -61.29 -31.78 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.336 -0.847 . . . . 1.18 110.281 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.24 -38.68 91.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.739 -0.664 . . . . 1.41 109.909 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 36.4 mt-30 -71.99 -42.13 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 2.53 110.331 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD11 " O4'" ' C' ' 12' ' ' ' DG' . 12.1 tp -65.9 -46.74 77.21 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.008 -0.542 . . . . 1.27 111.173 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB2' " H5'" ' D' ' 15' ' ' ' DT' . . . -68.66 -23.08 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 1.24 111.133 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 9.66 65.87 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.95 -0.568 . . . . 1.14 112.411 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 63.7 mttm -99.8 176.01 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.509 0.195 . . . . 6.76 110.475 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.509 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 23.2 tt0 -168.19 129.99 1.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.443 . . . . 7.2 110.214 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.74 117.74 35.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.408 -0.36 . . . . 7.21 110.745 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.489 -0.767 . . . . 10.03 109.835 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.136 -0.32 . . . . 7.98 110.136 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.465 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 1.0 OUTLIER -58.34 -51.8 79.18 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.197 0.443 . . . . 5.32 112.197 179.42 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 50.8 Cg_exo -55.49 146.95 60.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.261 1.974 . . . . 1.82 112.761 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.1 t -70.71 131.1 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 1.33 110.233 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.4 p -89.37 175.26 7.39 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.932 -0.577 . . . . 1.12 110.746 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.826 HD22 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -81.13 -8.89 59.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.379 -1.341 . . . . 1.37 107.379 178.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.76 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.4 m-85 -79.53 -44.46 21.13 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.496 -1.684 . . . . 2.18 109.576 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.47 -38.8 85.38 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.318 -0.855 . . . . 1.31 110.338 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.596 ' HA ' HD21 ' B' ' 45' ' ' LEU . 68.0 t -60.4 -43.38 93.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.501 -0.772 . . . . 1.05 110.746 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -67.96 -48.51 65.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 1.07 111.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.89 -40.43 73.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.606 -0.725 . . . . 2.34 111.818 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.556 ' CB ' HD23 ' B' ' 45' ' ' LEU . 26.6 t80 -73.53 -36.95 65.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.625 . . . . 2.46 111.601 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.674 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -73.65 -22.87 59.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 1.18 111.457 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.31 8.9 63.92 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.61 112.265 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' B' ' 13' ' ' ALA . 27.2 m -109.25 169.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.131 -0.322 . . . . 1.11 110.131 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 148.22 44.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.809 -0.812 . . . . 0.78 108.809 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -62.14 -21.55 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.373 . . . . 2.39 111.284 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.513 ' HB2' ' H72' ' D' ' 7' ' ' ' DT' . 31.7 mt-30 -72.7 -24.0 60.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.06 0.457 . . . . 1.4 109.874 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.567 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 51.8 m -68.08 -29.58 68.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.33 -0.989 . . . . 1.15 108.33 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 t -69.8 -51.7 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.399 -0.963 . . . . 1.1 108.399 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.493 ' HB2' ' H71' ' C' ' 15' ' ' ' DT' . 45.7 t -50.43 -36.2 32.08 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 120.906 0.384 . . . . 1.34 110.245 175.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.567 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 22.9 mtm180 -68.12 -51.54 45.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.055 -0.521 . . . . 3.18 110.603 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.595 HG11 ' HG3' ' B' ' 35' ' ' ARG . 86.8 t -57.66 -33.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.386 0.612 . . . . 1.18 110.669 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 71.2 t -81.82 -31.35 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 1.35 112.177 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -128.45 -72.18 0.62 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.765 0.654 . . . . 1.68 112.765 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.44 ' HB2' ' HG2' ' B' ' 22' ' ' ARG . 15.5 mm-40 -77.58 77.62 4.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.852 -0.613 . . . . 4.55 111.323 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.68 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.461 -0.791 . . . . 2.15 112.484 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.473 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.5 p -71.04 153.99 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.634 -0.506 . . . . 2.51 109.634 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.615 ' HB3' ' C6 ' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 59.22 29.38 18.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.833 0.453 . . . . 1.63 110.821 -178.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 28' ' ' SER . 44.7 t -129.31 98.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.462 . . . . 1.84 110.881 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 159.05 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.654 -0.703 . . . . 1.42 110.957 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.36 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 1.59 110.86 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.69 -52.92 63.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.983 -0.553 . . . . 3.76 111.561 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.457 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -68.62 -39.78 80.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.605 -0.271 . . . . 1.34 111.468 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.595 ' HG3' HG11 ' B' ' 23' ' ' VAL . 45.1 ttt180 -60.98 -49.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 3.81 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.51 -33.99 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 2.09 111.274 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.674 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.5 ttpt -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.877 0.37 . . . . 2.16 110.25 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 34' ' ' THR . 84.4 t -70.54 -45.82 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.14 110.282 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.27 -41.41 84.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 1.79 111.134 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.86 80.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.312 -0.404 . . . . 1.38 110.554 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.437 ' HB2' HG11 ' B' ' 9' ' ' VAL . . . -64.55 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.14 110.808 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.413 ' HG2' HG13 ' B' ' 9' ' ' VAL . 41.6 mtt -60.5 -23.82 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.54 . . . . 1.14 110.24 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.71 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 1.26 110.367 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.77 -52.25 64.97 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 115.917 -0.583 . . . . 1.55 110.868 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' B' ' 9' ' ' VAL . 0.8 OUTLIER -81.53 -18.94 43.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 1.58 111.299 -179.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.471 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.3 t30 69.85 59.78 0.28 Allowed 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 107.304 -1.369 . . . . 1.87 107.304 -176.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.5 t80 -49.08 118.88 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.129 -1.396 . . . . 2.23 112.787 -178.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 46' ' ' ASN . 40.4 mt -116.87 94.51 44.44 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 107.304 -1.369 . . . . 1.97 107.304 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -28.21 122.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 125.014 3.809 . . . . 0.95 114.902 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.505 HD21 " H4'" ' C' ' 13' ' ' ' DG' . 1.1 m-20 -73.4 57.66 0.53 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.988 -1.006 . . . . 1.64 110.349 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -48.1 -25.33 1.4 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.538 0.94 . . . . 5.46 113.538 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 -69.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.92 109.806 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.515 ' HB1' " H4'" ' C' ' 13' ' ' ' DG' . . . -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.938 -0.574 . . . . 1.22 111.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.76 -45.26 65.1 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 1.49 110.635 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -68.44 -35.34 77.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.807 -0.442 . . . . 3.16 109.807 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.833 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 16.7 tp -63.02 -57.82 9.38 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.355 -0.839 . . . . 1.2 108.833 176.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.887 ' HB2' ' H22' ' C' ' 13' ' ' ' DG' . . . -73.61 44.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 124.113 0.883 . . . . 1.12 112.782 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.92 61.6 2.65 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.603 -0.599 . . . . 2.13 111.603 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.465 ' HA ' H5'' ' D' ' 12' ' ' ' DC' . 0.9 OUTLIER -66.96 -30.86 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.623 0.249 . . . . 5.3 111.062 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -126.34 127.51 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 8.03 109.954 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 11.9 m -88.73 41.04 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.939 0.4 . . . . 7.32 111.011 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.156 -0.926 . . . . 8.36 110.431 179.667 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.467 " H1'" " H5'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.51 0 O4'-C1'-C2' 107.128 0.935 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.467 " H5'" " H1'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.18 -1.02 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.683 ' C8 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C1'-C2' 107.319 1.108 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.683 ' H73' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.806 1.004 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.552 " H1'" " H5'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 N19-C1'-C2' 116.617 1.511 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.552 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 O4'-C1'-N19 108.625 1.032 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.417 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.478 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.073 0.884 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.501 0.876 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.497 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.226 1.024 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.509 " H4'" ' HA ' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.628 " H1'" " C5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.004 0 C2'-C3'-O3' 115.27 1.73 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.887 ' H22' ' HB2' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.638 2.297 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.826 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.543 1.57 0 C5'-C4'-C3' 118.495 2.53 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.493 ' H71' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.19 0.991 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.448 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.448 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.007 0.825 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.447 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 107.025 0.841 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.421 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.057 0.87 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.574 ' C8 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C4'-C3'-C2' 102.313 -0.887 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.574 ' H73' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.302 -0.898 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.523 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.25 -0.95 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.497 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 N19-C1'-C2' 115.67 0.919 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.498 ' H8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 O4'-C1'-C2' 107.116 0.924 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C4'-C3'-C2' 102.176 -1.024 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.683 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.094 0.904 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.683 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 N19-C1'-C2' 115.957 1.098 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.503 ' C7 ' ' HB2' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 115.995 1.122 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.651 ' C8 ' ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.147 0.952 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.651 ' H71' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C5'-C4'-C3' 115.968 0.846 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.453 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C1'-C2' 107.119 0.927 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.54 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C2'-C3'-O3' 113.163 0.949 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.54 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.522 0.902 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.451 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-N19 108.525 0.906 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.744 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.508 -0.992 0 C4'-C3'-O3' 113.386 1.403 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.833 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 N19-C1'-C2' 117.225 1.891 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.577 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C1'-N19 110.07 2.838 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.56 " H5'" ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.135 0 C4'-C3'-C2' 102.391 -0.809 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.427 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.497 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 102.19 -1.01 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.543 ' C8 ' ' H73' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.148 0.953 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.543 ' H73' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C2'-C3'-O3' 112.955 0.872 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.444 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 106.982 0.802 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.47 0.176 . . . . 6.78 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -70.65 130.61 88.63 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 5.1 110.644 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.23 147.76 38.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.322 2.015 . . . . 1.67 110.917 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.735 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 76.7 t -66.62 129.68 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.118 -0.697 . . . . 1.27 109.118 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 1.3 p -100.56 171.24 7.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.761 -0.654 . . . . 1.07 110.106 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.728 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.44 -15.47 63.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 1.11 110.545 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.96 -34.66 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.211 0.529 . . . . 1.04 110.021 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB2' HG11 ' A' ' 4' ' ' VAL . 17.9 m-20 -72.95 -36.85 67.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.576 -0.738 . . . . 1.75 109.622 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 42' ' ' MET . 40.0 t -68.48 -44.69 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.425 -0.807 . . . . 1.07 109.91 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.41 98.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.025 -0.989 . . . . 1.08 110.788 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -66.07 -41.91 90.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.848 -0.614 . . . . 2.21 111.458 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -70.93 -35.07 72.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 2.38 111.819 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -84.42 -20.36 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.93 0.395 . . . . 1.05 111.373 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.63 37.35 12.05 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.983 -0.847 . . . . 0.52 110.983 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 13' ' ' ALA . 28.1 m -130.01 -165.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.712 -0.477 . . . . 1.12 109.712 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.514 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 19.1 p -107.82 152.91 23.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.774 -0.454 . . . . 1.37 109.774 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.728 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.9 p90 -55.63 -33.78 64.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.526 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 22' ' ' ARG . 63.3 tp60 -65.58 -36.0 82.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.64 109.823 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 23' ' ' VAL . 91.2 m -66.92 -41.71 86.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.756 -0.831 . . . . 1.14 108.756 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' HG21 ' A' ' 24' ' ' VAL . 71.4 t -61.03 -45.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 1.02 109.877 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.685 -0.689 . . . . 0.88 110.75 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.633 ' HB3' HG23 ' A' ' 30' ' ' VAL . 58.2 mtt180 -66.37 -30.97 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.6 110.305 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG11 ' HG3' ' A' ' 35' ' ' ARG . 46.4 t -81.05 -47.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.816 -0.629 . . . . 1.18 110.366 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.541 HG21 ' O ' ' A' ' 20' ' ' VAL . 47.4 t -59.75 -46.65 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.797 -0.638 . . . . 1.08 111.177 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.81 -15.57 57.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 1.72 111.094 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 59.83 55.57 3.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.45 0.643 . . . . 5.44 110.121 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.02 -148.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.229 -0.896 . . . . 2.79 111.377 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -100.57 -176.58 3.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 1.87 110.787 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.683 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.6 m170 62.0 27.42 16.61 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.037 0.535 . . . . 0.77 111.777 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG23 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -120.12 105.7 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 120.63 -0.428 . . . . 1.66 111.667 -179.42 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -73.45 153.74 40.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.13 -0.693 . . . . 1.3 109.13 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.3 -43.01 78.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.171 0.434 . . . . 1.73 112.171 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -56.38 -47.01 79.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.339 -0.391 . . . . 3.81 111.998 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.629 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -73.8 -37.35 64.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.047 -0.261 . . . . 1.21 111.582 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HG3' HG11 ' A' ' 23' ' ' VAL . 31.4 ttt180 -60.06 -43.07 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.736 0.303 . . . . 3.82 111.376 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 20.0 mt-10 -75.73 -21.65 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.263 0.468 . . . . 1.45 112.263 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.629 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -89.03 -28.56 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.225 -0.59 . . . . 1.59 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 34' ' ' THR . 72.4 t -73.7 -43.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.823 -0.436 . . . . 1.07 109.823 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.6 mt-10 -64.69 -29.31 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 1.59 109.898 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.45 60.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.781 . . . . 1.17 110.692 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.84 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.08 111.752 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.728 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.6 ptp -70.45 -11.26 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.277 -0.42 . . . . 1.11 110.81 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.86 15.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.084 0.469 . . . . 1.23 110.368 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.45 -51.58 34.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.839 0.828 . . . . 1.36 110.52 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 4' ' ' VAL . 1.6 mt -82.41 -13.35 56.95 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.649 -1.159 . . . . 2.46 111.78 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.51 67.18 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.815 0.817 . . . . 2.45 109.532 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.735 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.3 t80 -69.38 138.91 54.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.293 -1.321 . . . . 2.01 111.992 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -109.11 107.06 59.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.671 -0.695 . . . . 1.83 110.902 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.33 103.75 1.14 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.57 2.18 . . . . 0.65 110.643 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 60.7 m-80 -74.56 111.96 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.393 0.516 . . . . 0.54 112.393 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -84.11 -21.94 31.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 5.89 110.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.63 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.73 -37.51 70.58 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.429 -0.952 . . . . 0.83 108.429 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -70.95 -30.97 67.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.997 -1.001 . . . . 1.18 109.185 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.48 -36.13 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.508 -0.769 . . . . 1.41 109.743 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.67 -30.65 71.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.393 0.616 . . . . 2.53 109.486 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD22 ' C2 ' ' C' ' 12' ' ' ' DG' . 9.0 tp -80.81 -55.4 4.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.209 -0.905 . . . . 1.27 110.673 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.595 ' HB2' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.91 -26.3 68.25 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.015 -0.539 . . . . 1.24 112.408 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.01 12.43 64.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.02 -0.609 . . . . 1.14 112.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -121.79 39.91 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.935 0.398 . . . . 6.76 110.611 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.857 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 77.1 mt-30 -66.6 90.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.135 0.493 . . . . 7.2 111.722 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -168.19 158.67 10.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 7.21 109.908 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.559 -0.734 . . . . 10.03 110.795 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.465 ' HE1' ' HA ' ' B' ' 1' ' ' MET . 21.3 mmt . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 110.135 -0.32 . . . . 7.98 110.135 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -112.09 121.27 39.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.621 -0.263 . . . . 5.32 110.849 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.64 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 32.6 Cg_endo -64.62 157.97 52.64 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.734 2.29 . . . . 1.82 111.494 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.914 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 57.5 t -132.9 144.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.959 0.409 . . . . 1.33 110.475 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.431 HG21 HD22 ' B' ' 50' ' ' ASN . 6.0 p -91.26 167.46 12.3 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.148 -0.478 . . . . 1.12 110.063 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.842 HD22 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -81.04 -8.1 59.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.128 -1.064 . . . . 1.37 108.128 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.732 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.2 m-85 -79.81 -41.37 26.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.692 -1.595 . . . . 2.18 109.38 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.42 -37.33 87.15 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.474 -0.785 . . . . 1.31 110.166 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.522 ' HA ' HD21 ' B' ' 45' ' ' LEU . 83.2 t -58.73 -39.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.357 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.53 -47.78 62.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 1.07 111.532 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 46.5 mt-10 -57.45 -40.67 78.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 2.34 111.767 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -75.36 -35.55 61.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.518 -0.31 . . . . 2.46 111.835 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.99 -27.38 60.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 1.18 111.454 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.28 35.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.61 112.013 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -121.33 175.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.797 -0.446 . . . . 1.11 109.797 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 90.6 p -77.37 155.49 31.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.103 -0.703 . . . . 0.78 109.103 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.56 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -61.16 -26.68 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 2.39 110.081 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.542 ' HB2' ' H73' ' D' ' 7' ' ' ' DT' . 0.0 OUTLIER -69.37 -30.78 68.85 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 1.4 110.515 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -61.57 -37.13 82.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.093 -0.706 . . . . 1.15 109.093 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' B' ' 38' ' ' VAL . 37.0 t -72.77 -42.63 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.158 -0.928 . . . . 1.1 108.812 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 2.0 t -54.78 -38.49 67.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.471 -0.786 . . . . 1.34 110.29 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 38.5 mmt180 -62.1 -54.04 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.624 -0.716 . . . . 3.18 110.938 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.512 HG23 HG13 ' B' ' 30' ' ' VAL . 13.7 t -61.3 -36.16 71.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.171 0.51 . . . . 1.18 110.411 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.404 HG22 HD11 ' B' ' 6' ' ' LEU . 3.5 t -67.8 -36.65 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.529 -0.76 . . . . 1.35 111.054 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -72.55 -73.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 1.68 110.868 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.23 41.06 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.874 -0.603 . . . . 4.55 110.506 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.61 -117.15 0.41 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.815 -0.63 . . . . 2.15 109.977 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 77.2 p 58.94 120.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.164 0.986 . . . . 2.51 111.921 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.418 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.4 OUTLIER 64.3 29.48 13.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.969 -0.56 . . . . 1.63 110.844 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.512 HG13 HG23 ' B' ' 23' ' ' VAL . 13.1 t -131.95 104.96 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 1.84 110.115 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 154.38 35.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 1.42 110.393 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.29 -41.39 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.234 0.334 . . . . 1.59 111.719 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 45.3 mtmt -58.14 -52.62 64.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.15 -0.477 . . . . 3.76 110.58 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.402 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 1.34 111.088 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 3.81 110.476 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.34 -38.86 91.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.5 -0.773 . . . . 2.09 111.252 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 98.6 mttt -60.86 -46.25 91.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 2.16 110.38 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.592 HG13 ' HE2' ' B' ' 42' ' ' MET . 95.2 t -64.52 -51.22 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.653 -0.703 . . . . 1.14 110.717 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.2 -43.38 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 1.79 111.125 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.15 89.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 1.38 110.983 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' B' ' 9' ' ' VAL . . . -63.4 -33.19 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 1.14 110.627 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.592 ' HE2' HG13 ' B' ' 38' ' ' VAL . 62.2 mtt -63.91 -24.02 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 1.14 109.757 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.0 -37.13 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.676 -0.693 . . . . 1.26 110.26 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.39 -47.91 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.982 -0.553 . . . . 1.55 110.643 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' B' ' 9' ' ' VAL . 0.1 OUTLIER -78.6 -22.2 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.532 -0.758 . . . . 1.58 111.796 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 68.97 54.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.72 -1.585 . . . . 1.87 106.72 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.914 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -52.66 108.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.65 -1.613 . . . . 2.23 113.211 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.64 ' HB ' ' HA ' ' B' ' 3' ' ' PRO . 51.5 mm -110.53 96.19 26.41 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.255 -1.387 . . . . 1.97 107.255 176.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -30.86 130.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.042 3.828 . . . . 0.95 115.255 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.589 HD21 H5'' ' C' ' 13' ' ' ' DG' . 5.6 m-20 -72.43 66.45 0.68 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 114.856 -1.066 . . . . 1.64 109.833 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -42.76 -43.46 3.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.646 0.98 . . . . 5.46 113.646 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.63 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 63.2 m -58.77 -54.78 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 0.92 112.063 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.483 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -79.4 -27.64 41.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 1.22 111.954 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.431 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 51.2 mt-30 -72.63 -46.26 54.93 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.89 0.33 . . . . 1.49 111.89 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.05 -28.43 66.54 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.589 -0.523 . . . . 3.16 109.589 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.897 HD23 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -70.63 -70.6 0.29 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 1.2 109.788 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.861 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -54.19 -34.71 61.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.97 -1.014 . . . . 1.12 112.763 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.72 61.37 0.91 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.875 -0.679 . . . . 2.13 112.144 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -51.27 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.353 0.597 . . . . 5.3 110.227 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -90.09 84.59 6.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.718 -0.673 . . . . 8.03 110.518 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -103.15 -28.06 12.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.179 -0.464 . . . . 7.32 110.688 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.317 -0.849 . . . . 8.36 110.684 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.432 " O5'" ' C8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.189 0.99 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.111 0.919 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.726 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.897 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.726 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.696 1.12 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.724 ' H73' ' C6 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 N19-C1'-C2' 116.22 1.263 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.514 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.463 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.109 0.917 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.483 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.176 0.978 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.49 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 102.231 -0.969 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.49 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.667 1.084 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.857 " H4'" ' HA ' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 106.944 0.767 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.653 ' C2 ' HD22 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.196 0 C2'-C3'-O3' 115.916 1.969 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.861 ' H22' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 117.752 2.034 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.842 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.162 0 C5'-C4'-C3' 118.14 2.293 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.456 ' C2 ' ' N7 ' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.07 0.882 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.203 -0.997 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.485 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.162 0.965 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.463 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.292 -0.908 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.513 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.086 0.897 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.513 ' H71' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.719 0 O4'-C1'-C2' 107.078 0.889 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.51 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 N19-C1'-C2' 115.531 0.832 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.458 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 107.077 0.889 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.524 -0.391 0 O4'-C1'-C2' 107.153 0.958 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.461 ' C4 ' ' N7 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.266 -0.934 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.698 ' C8 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.184 0.985 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.698 ' H71' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 N19-C1'-C2' 116.102 1.189 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.508 " H1'" " H5'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 N19-C1'-C2' 116.653 1.533 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.654 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-N19 108.715 1.143 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.654 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C5'-C4'-C3' 116.106 0.937 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.42 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 102.355 -0.845 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.534 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 C2'-C3'-O3' 113.681 1.141 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.534 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 O4'-C1'-N19 108.514 0.893 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.799 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-O3' 113.173 1.306 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.897 ' C2 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 116.676 1.548 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.628 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 109.489 2.112 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.595 " H5'" ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 N19-C1'-C2' 115.669 0.918 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.464 " H1'" " H5'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.464 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 106.928 0.752 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.84 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 102.305 -0.895 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.508 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.549 ' C6 ' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.03 0.845 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.549 ' H71' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C2'-C3'-O3' 113.022 0.897 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.461 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.154 0.958 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.798 0.332 . . . . 6.78 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -159.93 81.71 2.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 5.1 110.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.17 147.03 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.286 1.991 . . . . 1.67 112.225 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.857 HG13 ' HG ' ' A' ' 45' ' ' LEU . 87.2 t -90.88 134.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.944 -0.762 . . . . 1.27 108.944 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.02 171.75 7.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.743 0.306 . . . . 1.07 110.957 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.0 pt? -65.63 -17.11 64.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 1.11 110.524 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.24 -33.9 61.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.309 -0.626 . . . . 1.04 109.309 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' HB2' HG11 ' A' ' 4' ' ' VAL . 5.4 m-20 -68.35 -40.32 81.58 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.489 -0.778 . . . . 1.75 109.65 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.81 -44.15 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 1.07 110.165 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.87 79.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.16 -0.927 . . . . 1.08 110.939 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.62 -27.23 51.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.363 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 4.7 t80 -77.41 -36.93 52.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 2.38 110.435 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' HG3' ' A' ' 37' ' ' LYS . . . -89.52 -17.13 29.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 1.05 111.729 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.65 39.88 16.61 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 110.991 -0.843 . . . . 0.52 110.991 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 13' ' ' ALA . 22.8 m -131.21 -172.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.153 -0.524 . . . . 1.12 109.625 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.9 p -96.68 158.07 15.6 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.238 -0.653 . . . . 1.37 109.238 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.67 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 51.5 p90 -62.7 -25.58 68.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.279 -0.638 . . . . 2.19 109.279 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HB2' ' H71' ' C' ' 7' ' ' ' DT' . 20.1 tp60 -67.2 -35.22 79.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.175 -0.921 . . . . 1.64 109.328 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -67.79 -41.26 83.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.738 -0.665 . . . . 1.14 109.558 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.4 t -60.0 -53.62 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.467 -0.788 . . . . 1.02 110.062 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 t -62.09 -29.89 70.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.388 -0.369 . . . . 0.88 110.344 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -59.42 -27.09 65.73 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.581 -0.736 . . . . 2.6 111.277 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 30' ' ' VAL . 21.6 t -102.61 -48.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.393 -0.367 . . . . 1.18 111.347 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 20' ' ' VAL . 42.9 t -55.6 -51.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.771 1.026 . . . . 1.08 113.771 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -130.76 22.37 5.02 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.625 0.972 . . . . 1.72 113.625 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.484 ' OE1' ' HD2' ' A' ' 22' ' ' ARG . 66.0 mt-30 -129.1 -53.38 1.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.712 -0.795 . . . . 5.44 112.074 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.4 38.93 12.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.546 0.689 . . . . 2.79 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.56 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.4 t -155.17 158.01 38.29 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.971 -1.013 . . . . 1.87 108.297 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.686 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.8 m170 64.5 28.63 13.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.813 0.279 . . . . 0.77 110.959 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 HG21 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -125.43 126.82 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.71 -0.478 . . . . 1.66 109.71 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' HG ' ' P ' ' C' ' 5' ' ' ' DT' . 0.1 OUTLIER -74.07 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.008 -0.542 . . . . 1.3 111.573 -179.185 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.24 -62.02 0.06 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.723 0.268 . . . . 1.73 111.723 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -54.97 -42.66 72.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.92 0.391 . . . . 3.81 110.796 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.6 -42.25 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 1.21 111.229 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -64.75 -41.2 96.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.427 . . . . 3.82 110.487 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.33 -21.51 62.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 1.45 112.375 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HG3' ' HB2' ' A' ' 13' ' ' ALA . 16.8 ptpt -93.18 -27.57 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.795 -0.362 . . . . 1.59 110.63 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 34' ' ' THR . 77.4 t -75.34 -45.87 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.405 -0.361 . . . . 1.07 110.782 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 23.8 mt-10 -68.67 -20.35 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 1.59 110.42 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -85.04 -42.32 14.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.772 -0.649 . . . . 1.17 110.07 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.612 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -65.43 -43.3 90.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.851 -0.613 . . . . 1.08 111.654 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.704 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -66.37 -10.01 39.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 1.11 111.604 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.62 -11.73 21.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.211 0.529 . . . . 1.23 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 8.1 mm-40 -84.8 -59.54 2.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.672 -0.695 . . . . 1.36 110.771 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.857 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.62 1.35 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.295 -0.866 . . . . 2.46 112.03 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 45' ' ' LEU . 7.9 t-20 63.48 70.6 0.52 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.443 0.64 . . . . 2.45 111.147 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 8.6 t80 -76.82 131.15 38.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.703 -0.68 . . . . 2.01 110.656 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.41 106.37 57.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.683 -0.689 . . . . 1.83 110.992 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.68 116.94 3.96 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.374 2.049 . . . . 0.65 110.285 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -83.64 113.3 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.114 0.483 . . . . 0.54 111.988 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 38.1 mtm180 -73.65 -30.23 62.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 5.89 110.821 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.697 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -69.87 -41.06 75.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.83 110.263 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -66.95 -32.76 74.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.914 -0.585 . . . . 1.18 109.536 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -64.9 -40.27 94.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 1.41 110.292 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 92.6 mt-30 -66.47 -45.37 79.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 2.53 110.366 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.3 tp -64.43 -50.57 67.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.484 -0.78 . . . . 1.27 111.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB2' " H5'" ' D' ' 15' ' ' ' DT' . . . -66.81 -26.65 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.717 -0.674 . . . . 1.24 112.117 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -12.3 69.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.048 -0.596 . . . . 1.14 112.515 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -93.65 160.76 14.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.057 -0.349 . . . . 6.76 110.057 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.62 167.17 28.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.509 -0.314 . . . . 7.2 110.229 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m 66.5 -168.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.522 0.514 . . . . 7.21 110.826 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.775 -0.631 . . . . 10.03 110.433 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.1 ptp . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.912 0.387 . . . . 7.98 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.597 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 60.0 mttm -99.55 -56.0 0.16 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 112.141 0.423 . . . . 5.32 112.141 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 17.3 Cg_exo -67.37 139.05 48.38 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.788 1.659 . . . . 1.82 112.125 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.573 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 61.7 t -76.43 130.18 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.813 -0.44 . . . . 1.33 109.813 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 24.0 p -93.03 176.68 6.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.27 -0.423 . . . . 1.12 109.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.822 HD21 ' OP2' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -79.9 -10.25 59.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.714 -1.217 . . . . 1.37 107.714 179.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.784 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 18.6 m-85 -78.59 -40.11 35.55 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.696 -1.593 . . . . 2.18 109.75 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.16 -37.27 85.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.764 -0.653 . . . . 1.31 110.015 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.37 -36.78 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.91 . . . . 1.05 110.567 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -67.43 -55.02 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.213 -0.903 . . . . 1.07 111.726 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.611 . . . . 2.34 111.622 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.457 ' CD1' HD21 ' B' ' 45' ' ' LEU . 68.3 t80 -67.58 -44.88 77.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 2.46 111.025 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.668 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -75.54 -18.21 59.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.129 0.49 . . . . 1.18 111.707 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.97 14.45 67.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.95 -0.643 . . . . 0.61 112.333 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.08 176.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.671 -0.492 . . . . 1.11 109.671 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 83.4 p -78.29 157.05 29.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.502 -0.925 . . . . 0.78 108.502 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.576 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -68.37 -15.86 63.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.505 0.669 . . . . 2.39 109.852 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.48 ' HB2' ' H73' ' D' ' 7' ' ' ' DT' . 0.0 OUTLIER -78.39 -27.54 46.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.246 -0.888 . . . . 1.4 109.469 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -62.85 -30.67 71.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.691 -0.855 . . . . 1.15 108.691 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.477 ' HA ' HG12 ' B' ' 38' ' ' VAL . 3.4 t -70.24 -50.68 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.029 -0.987 . . . . 1.1 109.109 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -48.08 -36.42 13.08 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.004 0.521 . . . . 1.34 111.768 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 40.8 mmt180 -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.183 -0.462 . . . . 3.18 111.398 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.69 -36.35 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 1.18 111.328 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.62 -38.65 82.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.825 -0.625 . . . . 1.35 111.821 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -79.08 -85.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.639 0.733 . . . . 1.68 111.236 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -143.69 95.97 2.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.72 -1.127 . . . . 4.55 108.286 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -28.82 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.965 1.416 . . . . 2.15 113.835 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -154.87 149.72 26.68 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.382 -0.969 . . . . 2.51 108.382 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.614 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 1.7 m170 61.14 30.73 19.53 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.977 0.417 . . . . 1.63 110.28 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.26 123.51 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.937 -0.574 . . . . 1.84 110.367 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.505 ' HG ' " C3'" ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER -73.34 153.59 40.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.851 -0.613 . . . . 1.42 109.657 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.475 ' HA ' ' HD2' ' B' ' 35' ' ' ARG . . . -50.82 -44.75 59.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.786 0.291 . . . . 1.59 111.786 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.9 -45.59 91.81 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.057 0.456 . . . . 3.76 111.247 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -40.14 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.043 -0.526 . . . . 1.34 111.738 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 50.5 mtt180 -54.08 -54.44 39.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.181 0.515 . . . . 3.81 110.691 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.82 -41.17 95.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.325 -0.852 . . . . 2.09 111.332 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.668 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 23.8 ttmm -58.2 -46.67 85.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.646 . . . . 2.16 111.615 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' B' ' 20' ' ' VAL . 53.4 t -70.55 -46.94 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.42 -0.355 . . . . 1.14 111.248 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.75 -42.26 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 1.79 110.906 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.14 -34.06 75.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.518 -0.31 . . . . 1.38 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.13 73.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 1.14 110.448 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 54.1 mtt -67.26 -19.49 65.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.564 . . . . 1.14 110.44 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.58 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.787 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 76.8 mm-40 -64.1 -55.61 20.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.335 0.588 . . . . 1.55 110.722 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.3 OUTLIER -84.51 -10.25 57.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.474 -0.785 . . . . 1.58 111.208 -179.249 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 t30 61.65 63.32 1.17 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.446 -0.946 . . . . 1.87 108.446 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.573 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -59.09 117.63 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.535 -1.212 . . . . 2.23 112.188 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.5 mt -118.15 101.14 51.71 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 107.471 -1.307 . . . . 1.97 107.471 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.453 ' HB2' ' OE1' ' B' ' 60' ' ' GLN . 81.7 Cg_exo -44.29 134.54 8.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.801 3.001 . . . . 0.95 114.018 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 88.3 m-20 -60.14 99.71 0.08 Allowed 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.777 -0.647 . . . . 1.64 109.773 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.55 ' HD3' ' H ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -51.59 -38.05 52.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.974 0.361 . . . . 5.46 111.974 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.697 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 57.9 m -75.3 -54.18 7.51 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.727 0.64 . . . . 0.92 112.727 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.473 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -74.44 -38.28 63.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.526 0.936 . . . . 1.22 113.526 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 5.4 mm-40 -67.13 -52.73 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.816 0.302 . . . . 1.49 111.816 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.716 ' HA ' ' HA ' ' B' ' 59' ' ' LYS . 29.6 tt0 -59.3 -35.98 74.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.32 0.581 . . . . 3.16 110.256 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.885 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 11.7 tp -64.88 -67.35 0.44 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.155 -0.93 . . . . 1.2 110.702 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.746 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -51.16 -48.38 61.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 1.12 113.808 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.66 37.29 0.27 Allowed Glycine 0 C--N 1.329 0.178 0 C-N-CA 119.576 -1.297 . . . . 2.13 113.173 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 32.1 mtmm 67.53 162.34 0.18 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.225 0.61 . . . . 5.3 111.446 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.453 ' OE1' ' HB2' ' B' ' 49' ' ' PRO . 10.0 tt0 -104.69 98.47 8.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.08 -0.509 . . . . 8.03 109.836 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m 63.16 33.34 14.48 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.012 -0.54 . . . . 7.32 111.079 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.354 -0.831 . . . . 8.36 111.517 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.416 ' C6 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.54 0 O4'-C1'-C2' 106.999 0.817 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.483 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C4'-C3'-C2' 102.18 -1.02 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.709 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.77 0 O4'-C1'-C2' 107.299 1.09 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.709 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 N19-C1'-C2' 115.702 0.939 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.686 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.441 0.76 0 N19-C1'-C2' 116.515 1.447 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.55 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C2'-C3'-O3' 113.42 1.045 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.485 ' OP2' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.126 0.932 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.525 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.05 0.863 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.525 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.662 1.078 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.491 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.509 0 O4'-C1'-N19 108.483 0.854 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.441 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.951 0.774 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.617 " H1'" " C5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.445 1.112 0 C2'-C3'-O3' 115.77 1.915 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.784 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.378 1.972 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.822 ' OP2' HD21 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.44 0 O4'-C1'-N19 105.531 -2.836 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.493 ' C2 ' ' N7 ' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 P-O3'-C3' 120.915 1.012 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.493 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.056 0.869 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.465 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 C4'-C3'-C2' 102.364 -0.836 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.465 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 106.901 0.728 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.441 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C4'-C3'-C2' 102.257 -0.943 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.491 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 C4'-C3'-C2' 102.42 -0.78 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.5 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.371 -0.829 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.5 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 N19-C1'-C2' 115.633 0.895 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.466 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 N19-C1'-C2' 115.596 0.873 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.433 ' H8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 O4'-C1'-C2' 107.029 0.845 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 102.177 -1.023 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.699 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.148 0.952 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.699 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 N19-C1'-C2' 115.999 1.124 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.614 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 N19-C1'-C2' 116.189 1.243 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.514 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.514 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.0 0.818 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.425 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.719 0 C4'-C3'-C2' 102.379 -0.821 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C5'-C4'-C3' 115.887 0.792 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.497 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 O4'-C1'-C2' 106.969 0.79 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.48 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.059 0.872 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.761 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.509 -0.868 0 C4'-C3'-O3' 113.029 1.241 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.885 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 N19-C1'-C2' 116.77 1.606 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.58 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O4'-C1'-N19 109.689 2.362 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.524 " H5'" ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C4'-C3'-C2' 102.344 -0.856 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.422 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 102.302 -0.898 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.483 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.123 -1.077 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.483 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 106.989 0.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.478 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C4'-C3'-C2' 102.29 -0.91 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.478 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.457 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C1'-C2' 106.92 0.746 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 106.932 0.756 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 mmm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.874 0.369 . . . . 6.78 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -55.52 2.34 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.943 -0.572 . . . . 5.1 111.62 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.64 123.05 8.74 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.557 1.505 . . . . 1.67 111.925 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.074 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.1 t -70.55 144.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.726 -0.67 . . . . 1.27 110.115 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.501 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.3 OUTLIER -106.62 165.15 11.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.165 -0.471 . . . . 1.07 110.229 -179.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.905 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -64.26 -16.78 62.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 1.11 111.238 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -77.58 -36.4 52.05 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.04 109.956 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -34.89 67.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.75 110.34 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.17 -41.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.478 0.656 . . . . 1.07 109.432 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.47 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.937 -1.028 . . . . 1.08 111.308 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -35.58 80.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.795 -0.639 . . . . 2.21 111.616 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.484 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.6 t80 -79.49 -34.42 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.53 -0.304 . . . . 2.38 111.479 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.24 -16.89 44.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.621 0.248 . . . . 1.05 111.172 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.94 30.11 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.977 -0.849 . . . . 0.52 110.977 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 13' ' ' ALA . 27.7 m -129.29 -165.54 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.062 -0.569 . . . . 1.12 109.813 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.458 ' HG ' " H2'" ' C' ' 6' ' ' ' DG' . 33.9 m -110.35 152.45 26.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.878 -0.601 . . . . 1.37 109.394 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.905 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 43.9 p90 -55.13 -25.54 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.961 0.41 . . . . 2.19 110.939 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.799 HE22 ' N4 ' ' D' ' 16' ' ' ' DC' . 7.7 tp-100 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 1.64 109.626 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG21 ' A' ' 23' ' ' VAL . 41.6 m -65.82 -47.06 76.3 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.097 -0.956 . . . . 1.14 109.594 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HA ' HG11 ' A' ' 38' ' ' VAL . 98.7 t -54.91 -50.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.145 -0.934 . . . . 1.02 111.134 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.7 t -60.54 -36.44 78.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.439 -0.346 . . . . 0.88 111.516 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.616 ' HB3' HG22 ' A' ' 30' ' ' VAL . 88.1 mtt-85 -68.85 -27.37 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.727 0.299 . . . . 2.6 110.586 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 19' ' ' THR . 65.2 t -83.26 -50.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 1.18 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.537 HG21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 t -58.81 -45.63 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.416 -0.811 . . . . 1.08 112.102 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -88.6 -3.64 58.75 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.898 0.333 . . . . 1.72 111.898 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 55.92 65.54 1.42 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.3 0.572 . . . . 5.44 109.983 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.82 -153.07 0.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.721 -0.672 . . . . 2.79 111.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 1.9 p -99.48 175.82 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 1.87 110.324 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.644 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 2.0 m170 62.23 39.71 12.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.825 0.45 . . . . 0.77 111.538 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.616 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -130.14 124.97 59.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 120.805 0.336 . . . . 1.66 111.239 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HG ' ' P ' ' C' ' 5' ' ' ' DT' . 3.4 p -99.52 148.65 24.04 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.487 -0.561 . . . . 1.3 109.487 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.19 -26.34 66.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 1.73 111.972 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -61.13 -43.84 98.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.929 0.395 . . . . 3.81 111.067 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -91.84 -28.83 17.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 1.21 111.293 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -56.1 -42.99 77.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 3.82 110.974 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 37.5 mt-10 -69.06 -41.08 78.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.419 0.526 . . . . 1.45 112.419 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 19.2 ptpt -68.61 -31.96 71.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 1.59 110.809 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' A' ' 20' ' ' VAL . 92.0 t -74.13 -42.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.25 -0.432 . . . . 1.07 109.998 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 35.8 mt-10 -65.23 -27.83 68.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.184 0.516 . . . . 1.59 109.898 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -81.92 -39.65 23.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.649 -0.705 . . . . 1.17 110.441 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.75 91.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.037 0.446 . . . . 1.08 110.997 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.786 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -72.89 -6.23 43.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 1.11 110.738 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.212 0.529 . . . . 1.23 109.909 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.6 mm-40 -72.21 -61.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 1.36 110.109 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -13.95 60.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.967 -1.015 . . . . 2.46 111.411 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.5 62.27 0.28 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.573 0.701 . . . . 2.45 109.438 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 1.074 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.1 t80 -64.39 138.06 58.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.573 -1.194 . . . . 2.01 111.599 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.33 104.44 53.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.83 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.53 115.77 2.89 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.805 2.337 . . . . 0.65 111.221 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -83.17 98.77 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.54 111.563 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -73.85 -15.58 61.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 5.89 110.654 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.52 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -77.91 -41.21 37.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.037 -0.727 . . . . 0.83 109.037 179.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -69.07 -28.15 66.27 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.361 -0.836 . . . . 1.18 109.282 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -37.01 80.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.222 -0.899 . . . . 1.41 110.006 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.87 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 2.53 110.149 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.617 HD22 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.6 tp -82.28 -54.95 4.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.87 -0.605 . . . . 1.27 110.307 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.74 -37.42 87.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.729 -0.669 . . . . 1.24 110.599 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.97 87.67 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.791 -0.64 . . . . 1.14 111.708 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HD3' " H4'" ' C' ' 11' ' ' ' DC' . 6.4 pttm 32.95 -106.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.396 1.078 . . . . 6.76 112.989 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.464 HE21 ' HB3' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -81.41 126.61 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 7.2 110.576 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -139.13 25.37 2.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.556 . . . . 7.21 110.339 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.402 -0.809 . . . . 10.03 110.461 -179.787 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.633 0.254 . . . . 7.98 110.587 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -118.59 88.25 33.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.099 0.476 . . . . 5.32 110.59 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.71 101.18 1.01 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.418 2.078 . . . . 1.82 111.958 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.59 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 84.6 t -77.48 127.88 38.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.811 -0.631 . . . . 1.33 109.524 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 19.0 p -91.13 173.67 7.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.947 -0.57 . . . . 1.12 110.2 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.828 HD21 ' OP2' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -76.2 -11.39 59.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.822 -1.177 . . . . 1.37 107.822 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.78 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 31.8 m-85 -75.71 -43.86 45.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.081 -1.418 . . . . 2.18 109.414 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.468 ' HB2' HG13 ' B' ' 4' ' ' VAL . 9.5 m-20 -61.91 -40.35 95.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.875 -0.602 . . . . 1.31 110.183 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.487 ' HA ' HD22 ' B' ' 45' ' ' LEU . 55.7 t -58.65 -43.31 87.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.23 -0.896 . . . . 1.05 110.577 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.617 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.45 -46.44 76.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 1.07 112.226 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 5.2 mm-40 -57.86 -40.74 80.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 2.34 111.7 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.53 ' CB ' HD21 ' B' ' 45' ' ' LEU . 57.2 t80 -71.33 -41.38 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 2.46 111.06 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.37 62.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.514 . . . . 1.18 111.606 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.22 62.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.633 . . . . 0.61 112.295 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.43 174.22 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 1.11 110.229 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 154.27 40.47 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.775 -0.824 . . . . 0.78 108.775 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.617 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.73 -25.96 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 2.39 110.337 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' H71' ' D' ' 7' ' ' ' DT' . 7.1 tt0 -76.82 -20.58 56.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.873 -0.603 . . . . 1.4 110.508 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -64.53 -29.56 70.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.921 -0.77 . . . . 1.15 108.921 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 t -69.65 -46.38 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.323 -0.992 . . . . 1.1 108.323 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.433 ' HB2' ' H72' ' C' ' 15' ' ' ' DT' . 32.1 t -52.89 -34.55 55.38 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.076 0.465 . . . . 1.34 110.31 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -64.59 -56.09 16.15 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.679 -0.692 . . . . 3.18 110.619 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.551 HG21 HG12 ' B' ' 30' ' ' VAL . 97.4 t -58.73 -32.07 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 1.18 110.816 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.83 -38.22 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.593 -0.73 . . . . 1.35 112.034 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.432 HD22 ' P ' ' C' ' 15' ' ' ' DT' . 10.6 m-80 -123.17 -70.55 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.879 0.696 . . . . 1.68 112.879 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -79.96 75.59 6.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 4.55 111.345 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.06 -24.56 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.72 -1.127 . . . . 2.15 112.364 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m -69.03 156.78 38.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.882 -0.414 . . . . 2.51 109.882 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.412 ' HA ' ' OP2' ' D' ' 4' ' ' ' DT' . 0.2 OUTLIER 64.12 21.67 12.64 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.196 0.598 . . . . 1.63 110.336 -177.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.551 HG12 HG21 ' B' ' 23' ' ' VAL . 41.9 t -122.21 113.67 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.672 -0.492 . . . . 1.84 109.672 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.478 ' HG ' " H3'" ' D' ' 4' ' ' ' DT' . 0.3 OUTLIER -83.51 161.56 21.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.42 110.562 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -43.68 75.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 1.59 110.568 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 20.4 ttpt -49.56 -55.83 12.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.606 -0.725 . . . . 3.76 111.709 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -37.27 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.18 0.437 . . . . 1.34 112.18 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -59.92 -45.56 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.567 -0.288 . . . . 3.81 111.033 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.31 -33.29 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.09 110.801 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 65.7 mttm -62.41 -48.67 78.68 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.324 -0.398 . . . . 2.16 110.561 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.502 HG11 ' HE1' ' B' ' 42' ' ' MET . 59.0 t -66.3 -48.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.656 -0.702 . . . . 1.14 110.901 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.83 -45.21 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.895 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.63 -43.62 88.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.38 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.75 -33.11 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.14 111.676 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.502 ' HE1' HG11 ' B' ' 38' ' ' VAL . 61.4 mtt -62.57 -19.98 64.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.404 -0.362 . . . . 1.14 111.078 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.95 -29.04 11.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 1.26 110.911 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 6.2 mm-40 -70.32 -43.42 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.822 0.344 . . . . 1.55 110.289 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -88.37 -18.35 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.58 110.369 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 68.21 58.66 0.44 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 107.039 -1.467 . . . . 1.87 107.039 -176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.59 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -55.13 117.34 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 113.969 -1.469 . . . . 2.23 113.091 -177.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -124.16 92.59 48.05 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 107.6 -1.259 . . . . 1.97 107.6 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.35 129.66 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.785 2.99 . . . . 0.95 113.545 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -54.74 99.73 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.784 -0.644 . . . . 1.64 109.979 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -54.02 -36.24 62.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.938 0.399 . . . . 5.46 111.153 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.7 m -76.92 -54.53 6.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.759 0.651 . . . . 0.92 112.759 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.444 ' HB2' " O4'" ' C' ' 13' ' ' ' DG' . . . -73.37 -33.86 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.318 0.858 . . . . 1.22 113.318 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 8.6 mm-40 -72.41 -47.99 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.635 0.606 . . . . 1.49 112.635 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.24 -33.36 75.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.291 0.567 . . . . 3.16 109.685 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.9 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.9 tp -66.65 -61.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.136 -0.938 . . . . 1.2 110.234 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.704 ' HB3' ' H22' ' C' ' 13' ' ' ' DG' . . . -60.36 -25.41 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.143 -0.935 . . . . 1.12 112.868 -178.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -177.71 -87.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.862 -1.161 . . . . 2.13 112.889 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.78 158.2 17.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.662 0.267 . . . . 5.3 111.113 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.24 72.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.825 -0.435 . . . . 8.03 109.825 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -78.27 95.53 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.995 -0.548 . . . . 7.32 111.344 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.51 -0.757 . . . . 8.36 109.562 178.693 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.532 0 O4'-C1'-C2' 107.116 0.924 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.429 " H1'" " H5'" ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.736 ' C8 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C4'-C3' 104.659 -0.941 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.736 ' H73' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.021 0.838 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.644 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.608 1.505 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.529 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.701 1.126 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.451 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 107.125 0.932 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.451 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C4'-C3'-C2' 102.349 -0.851 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.438 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C4'-C3'-C2' 102.267 -0.933 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.443 H2'' ' OP2' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-N19 108.562 0.952 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.484 " H4'" ' HD3' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C5'-C4'-C3' 116.197 0.998 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.623 " H1'" " C5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.446 1.19 0 C2'-C3'-O3' 115.696 1.887 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.78 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 O4'-C1'-N19 109.88 2.6 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.828 ' OP2' HD21 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.415 -1.59 0 C5'-C4'-C3' 118.444 2.496 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.433 ' H72' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.073 0.885 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.061 0.873 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.46 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C5'-C4'-C3' 116.128 0.952 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.06 0.873 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.463 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 102.327 -0.873 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.479 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.275 -0.925 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.479 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.34 -0.86 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.419 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 N19-C1'-C2' 115.722 0.951 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.109 0.917 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.335 -0.865 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.694 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.049 0.862 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.694 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 N19-C1'-C2' 115.841 1.026 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.497 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.639 0 N19-C1'-C2' 115.965 1.103 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.602 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-N19 108.506 0.882 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.602 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C5'-C4'-C3' 116.185 0.99 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.438 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-C3' 116.069 0.913 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.495 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.296 -0.904 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.495 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-N19 108.592 0.99 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 O4'-C1'-C2' 107.034 0.849 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.805 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.769 0 C4'-C3'-O3' 113.062 1.255 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.9 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 N19-C1'-C2' 116.672 1.545 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.609 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 109.354 1.943 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.444 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 102.334 -0.866 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.799 ' N4 ' HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 102.311 -0.889 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.499 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.075 0.886 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.499 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.408 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.093 -1.107 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.509 ' C8 ' ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.509 ' H71' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.055 0.868 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.471 ' H73' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 107.021 0.838 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C5'-C4'-C3' 115.901 0.801 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptt? . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 110.145 -0.317 . . . . 6.78 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? 70.68 119.19 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 124.066 0.854 . . . . 5.1 110.415 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.44 122.18 11.24 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.536 2.158 . . . . 1.67 112.008 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.5 t -75.33 131.49 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.596 -0.52 . . . . 1.27 109.596 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.559 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -105.82 170.55 7.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.033 -0.53 . . . . 1.07 110.11 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.68 -15.55 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 1.11 110.141 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -76.86 -35.16 57.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.853 -0.612 . . . . 1.04 109.52 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.95 -38.11 85.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.951 -0.568 . . . . 1.75 110.217 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 t -69.5 -42.81 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.605 -0.725 . . . . 1.07 109.587 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.96 79.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.034 -0.985 . . . . 1.08 111.092 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.1 -39.76 75.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.131 -0.486 . . . . 2.21 111.707 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -74.33 -34.98 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 2.38 111.473 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -85.9 -16.14 39.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 1.05 111.676 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.18 38.05 30.68 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.885 -0.886 . . . . 0.52 110.885 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 13' ' ' ALA . 27.7 m -130.79 -165.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.305 -0.448 . . . . 1.12 110.031 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 60.3 p -106.43 157.03 17.93 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.266 -0.642 . . . . 1.37 109.266 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.854 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.8 p90 -59.75 -31.11 69.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.089 0.471 . . . . 2.19 110.024 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -66.74 -35.45 80.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.536 -0.756 . . . . 1.64 109.6 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.9 m -65.76 -48.64 71.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.759 -0.83 . . . . 1.14 108.759 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 HG13 ' A' ' 38' ' ' VAL . 74.9 t -58.62 -48.99 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.23 -0.895 . . . . 1.02 110.696 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' HD11 ' A' ' 6' ' ' LEU . 22.9 t -58.59 -39.1 79.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.88 111.368 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HB2' HG22 ' A' ' 30' ' ' VAL . 59.5 mtt180 -68.34 -24.84 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 2.6 110.561 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 35' ' ' ARG . 83.9 t -81.4 -44.75 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.213 0.53 . . . . 1.18 109.864 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 20' ' ' VAL . 47.9 t -62.78 -44.48 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.269 -0.878 . . . . 1.08 110.6 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.91 -11.16 59.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.323 -0.399 . . . . 1.72 111.293 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.17 63.4 1.08 Allowed 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.71 0.631 . . . . 5.44 110.953 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 -166.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.73 -0.668 . . . . 2.79 110.834 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -92.24 -161.87 0.87 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.962 -0.563 . . . . 1.87 110.652 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.713 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 5.1 m170 67.99 -60.52 0.4 Allowed 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.456 0.702 . . . . 0.77 112.608 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 22' ' ' ARG . 97.2 t -64.58 117.36 5.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.355 0.597 . . . . 1.66 111.239 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.574 ' HG ' " H3'" ' C' ' 4' ' ' ' DT' . 0.1 OUTLIER -75.86 168.86 19.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.144 -0.935 . . . . 1.3 110.964 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.87 -39.28 88.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.587 0.217 . . . . 1.73 111.587 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -52.91 -48.21 67.39 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.987 0.422 . . . . 3.81 111.345 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.57 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -82.86 -28.07 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 1.21 111.548 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HG3' HG11 ' A' ' 23' ' ' VAL . 13.1 ttm180 -66.31 -46.3 77.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.957 0.408 . . . . 3.82 111.307 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 59.2 mt-10 -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.78 -0.646 . . . . 1.45 112.352 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.7 ptpt -81.79 -28.53 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.158 -0.617 . . . . 1.59 109.93 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 34' ' ' THR . 76.5 t -73.01 -44.55 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.07 109.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.94 -32.52 73.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.574 -0.739 . . . . 1.59 110.114 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.2 -35.08 42.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 1.17 111.049 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.15 74.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.842 0.353 . . . . 1.08 110.994 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.797 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.7 ptp -71.66 -10.72 60.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 1.11 110.687 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.77 -22.68 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 1.23 109.666 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 80.0 mm-40 -80.79 -51.12 8.99 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.034 -0.985 . . . . 1.36 110.606 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.54 6.95 31.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 2.46 111.185 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 p30 47.27 46.73 16.8 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.779 0.8 . . . . 2.45 111.136 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.797 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 7.7 t80 -52.15 126.8 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.642 -1.163 . . . . 2.01 112.123 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -103.52 109.65 62.33 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.993 -1.003 . . . . 1.83 110.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.07 106.45 1.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.57 2.18 . . . . 0.65 110.982 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -68.74 105.79 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.54 111.502 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 39.0 ptt180 -73.15 -22.84 60.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.521 -0.763 . . . . 5.89 110.618 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.577 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -72.09 -40.65 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.298 0.57 . . . . 0.83 110.114 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB2' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.76 -31.06 69.83 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.457 -0.792 . . . . 1.18 109.289 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' N ' " H4'" ' D' ' 14' ' ' ' DC' . 28.1 tt0 -67.45 -40.53 85.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.023 -0.989 . . . . 1.41 110.018 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HB3' ' HA ' ' A' ' 61' ' ' SER . 89.4 mt-30 -62.74 -41.91 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 2.53 109.862 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.843 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.8 tp -67.91 -52.3 37.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.491 -0.777 . . . . 1.27 110.866 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB1' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.34 -26.31 68.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.684 . . . . 1.24 110.784 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.26 19.38 18.43 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.921 -0.581 . . . . 1.14 111.953 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' HD3' " H4'" ' C' ' 11' ' ' ' DC' . 3.5 tppp? 72.28 106.42 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.63 0.772 . . . . 6.76 111.713 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HA ' H5'' ' C' ' 12' ' ' ' DG' . 6.1 tp-100 69.29 109.47 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.215 -0.902 . . . . 7.2 112.048 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 9.7 p -78.16 -18.25 55.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.666 -0.697 . . . . 7.21 111.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.424 -0.798 . . . . 10.03 110.718 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 121.117 0.484 . . . . 7.98 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' B' ' 2' ' ' LYS . 0.1 OUTLIER -101.72 -54.21 0.14 Allowed Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 5.32 110.726 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 24.5 Cg_exo -64.7 115.57 3.3 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.987 1.791 . . . . 1.82 111.629 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 46.3 t -92.78 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 1.33 110.458 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.9 p -95.46 170.95 9.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.254 -0.43 . . . . 1.12 110.183 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.793 HD21 ' OP2' ' C' ' 14' ' ' ' DA' . 0.5 OUTLIER -79.61 -6.16 56.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.884 -1.154 . . . . 1.37 107.884 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.789 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 20.8 m-85 -82.1 -40.01 22.53 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.937 -1.483 . . . . 2.18 109.956 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.55 -39.22 93.36 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.029 -0.532 . . . . 1.31 110.335 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.503 ' HA ' HD21 ' B' ' 45' ' ' LEU . 40.0 t -59.21 -38.75 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.253 -0.885 . . . . 1.05 110.368 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -71.78 -53.52 13.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.283 -0.871 . . . . 1.07 112.531 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.09 -31.38 67.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.412 -0.358 . . . . 2.34 111.507 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.415 ' CB ' HD23 ' B' ' 45' ' ' LEU . 55.1 t80 -76.41 -48.73 18.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.396 -0.365 . . . . 2.46 110.832 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.495 ' HB3' ' HG3' ' B' ' 37' ' ' LYS . . . -67.52 -25.11 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 1.18 111.987 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.22 6.18 61.69 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.935 -0.65 . . . . 0.61 112.374 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.516 HG11 HG22 ' B' ' 34' ' ' THR . 36.0 m -103.05 170.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.126 -0.324 . . . . 1.11 110.126 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.427 ' HG ' " H2'" ' D' ' 6' ' ' ' DG' . 0.8 OUTLIER -72.86 148.32 44.55 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.14 -1.059 . . . . 0.78 108.14 177.541 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.711 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -61.37 -23.29 65.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.205 0.526 . . . . 2.39 110.453 -178.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.83 -28.09 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 1.4 110.339 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.429 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 29.7 m -67.52 -31.51 71.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.65 -0.87 . . . . 1.15 108.65 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' B' ' 38' ' ' VAL . 16.2 t -73.98 -46.02 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 1.1 109.407 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.751 ' HB2' ' OP2' ' C' ' 15' ' ' ' DT' . 7.8 p -58.68 -32.58 69.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.149 0.5 . . . . 1.34 110.037 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 24.5 mtm180 -74.19 -47.74 33.67 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.489 -0.778 . . . . 3.18 110.155 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.422 HG22 HG11 ' B' ' 30' ' ' VAL . 21.8 t -57.43 -35.84 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.556 0.693 . . . . 1.18 109.828 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.45 -33.77 46.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.182 -0.917 . . . . 1.35 111.675 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.447 ' OD1' ' HE2' ' B' ' 59' ' ' LYS . 28.3 m-80 -126.4 -72.34 0.65 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.888 0.699 . . . . 1.68 112.888 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -78.38 82.69 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 4.55 111.455 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.25 -11.07 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.723 -0.671 . . . . 2.15 111.949 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' B' ' 29' ' ' HIS . 0.4 OUTLIER -71.47 149.83 45.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.869 -0.419 . . . . 2.51 109.869 178.115 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.512 ' HB2' ' C7 ' ' D' ' 5' ' ' ' DT' . 0.0 OUTLIER 60.92 30.07 19.4 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.119 0.568 . . . . 1.63 110.989 -179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.422 HG11 HG22 ' B' ' 23' ' ' VAL . 45.5 t -127.58 107.89 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.33 . . . . 1.84 110.268 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -70.76 163.53 27.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.241 -0.436 . . . . 1.42 110.932 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 1.59 111.535 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 39.1 mmtm -58.1 -54.07 51.16 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.403 -0.362 . . . . 3.76 111.494 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.516 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -68.32 -35.21 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 1.34 111.029 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.89 -51.47 69.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 3.81 110.173 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.866 -0.606 . . . . 2.09 110.67 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' B' ' 13' ' ' ALA . 3.0 tppp? -60.34 -44.54 95.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 2.16 110.051 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.573 HG11 ' HE1' ' B' ' 42' ' ' MET . 69.9 t -73.22 -46.91 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.43 -0.804 . . . . 1.14 111.06 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -36.05 78.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.327 -0.397 . . . . 1.79 111.438 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.45 -41.53 93.32 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.628 -0.508 . . . . 1.38 109.628 178.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.4 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.573 ' HE1' HG11 ' B' ' 38' ' ' VAL . 67.2 mtt -60.58 -23.78 64.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.034 -0.53 . . . . 1.14 110.413 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -29.27 13.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.052 -0.522 . . . . 1.26 110.763 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 14.8 mm-40 -70.77 -52.24 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.129 0.49 . . . . 1.55 110.392 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.562 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -80.34 -19.79 45.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.866 -0.606 . . . . 1.58 110.075 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.453 ' O ' HG12 ' B' ' 48' ' ' ILE . 14.3 t-20 69.12 57.94 0.37 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.263 -1.384 . . . . 1.87 107.263 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.714 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -52.51 121.37 6.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.794 -1.548 . . . . 2.23 112.741 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.453 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.0 mm -122.33 96.23 46.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 114.892 -1.049 . . . . 1.97 108.622 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -35.2 123.05 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.178 3.252 . . . . 0.95 113.929 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.559 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.6 m-20 -55.49 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.49 -0.777 . . . . 1.64 111.191 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -58.47 -40.07 81.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.807 0.299 . . . . 5.46 111.807 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.1 m -73.75 -58.38 3.35 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.752 0.649 . . . . 0.92 112.752 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.517 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -67.47 -37.8 83.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.467 0.914 . . . . 1.22 113.467 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 47.1 mt-30 -69.46 -51.21 38.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.611 -0.436 . . . . 1.49 111.432 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -55.91 -36.93 68.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.411 0.624 . . . . 3.16 109.856 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.903 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.8 tp -67.65 -58.03 5.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.81 -1.086 . . . . 1.2 110.89 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.783 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -71.76 34.45 0.06 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.022 1.119 . . . . 1.12 114.022 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.05 31.54 61.77 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 114.392 0.517 . . . . 2.13 114.392 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.447 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 23.5 tptp -118.25 86.41 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.707 0.765 . . . . 5.3 110.403 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.458 ' HB2' HD21 ' B' ' 62' ' ' LEU . 1.6 pm0 -93.42 156.25 16.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.336 -0.847 . . . . 8.03 110.386 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.5 m -94.23 57.28 2.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 7.32 110.19 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 60' ' ' GLN . 4.0 mm? . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.316 -0.849 . . . . 8.36 110.673 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 O4'-C1'-C2' 107.033 0.848 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.034 0.849 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.701 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.902 0 O4'-C1'-C2' 107.272 1.066 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.701 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C4'-C3' 104.737 -0.863 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.713 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.05 1.156 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.505 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.52 0.9 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.248 1.044 . . . . 1.2 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.504 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.219 -0.981 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.504 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-N19 108.618 1.023 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.487 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.22 1.018 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.552 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C4'-C3'-C2' 102.322 -0.878 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.843 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.081 0 C2'-C3'-O3' 115.138 1.681 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.789 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.109 0 O4'-C1'-N19 109.35 1.938 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.793 ' OP2' HD21 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.338 0 C5'-C4'-C3' 118.691 2.66 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.751 ' OP2' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 P-O3'-C3' 121.33 1.358 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.446 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.268 -0.932 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.446 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.111 0.919 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.32 -0.88 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.565 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.163 0.967 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.565 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C4'-C3'-C2' 102.357 -0.843 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.472 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.05 0.864 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.438 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 N19-C1'-C2' 115.73 0.957 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.156 0.96 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C4'-C3'-C2' 102.183 -1.017 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.594 ' C8 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.549 0 O4'-C1'-C2' 107.21 1.01 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.594 ' H71' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.4 1.375 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.512 ' C7 ' ' HB2' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 N19-C1'-C2' 116.289 1.306 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.609 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.242 -0.958 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.609 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 106.969 0.79 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-C3' 116.03 0.887 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.504 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C2'-C3'-O3' 113.677 1.14 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.504 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.053 0.866 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.152 0.956 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.829 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-O3' 113.34 1.382 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.903 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 N19-C1'-C2' 116.086 1.179 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.58 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C1'-N19 109.632 2.29 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.525 ' H71' ' C6 ' ' D' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.075 0 O4'-C1'-N19 108.607 1.008 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.416 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 102.239 -0.961 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.452 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.649 0 O4'-C1'-C2' 107.002 0.82 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.452 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.116 0.923 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.05 0.863 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.488 " C2'" ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.073 0.885 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.499 ' C6 ' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.056 0.869 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.499 ' H71' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.01 0.827 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 N19-C1'-C2' 115.459 0.787 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.886 -0.412 . . . . 6.78 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -71.84 124.9 91.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 5.1 110.917 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.13 122.96 10.87 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.693 2.262 . . . . 1.67 111.091 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.775 HG12 ' HG ' ' A' ' 45' ' ' LEU . 92.6 t -80.14 134.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.995 -0.548 . . . . 1.27 110.25 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.537 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.9 OUTLIER -108.43 176.58 5.07 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.731 -0.668 . . . . 1.07 110.678 -178.048 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.97 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -68.16 -15.22 63.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.863 0.363 . . . . 1.11 110.391 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -76.41 -35.73 58.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.228 -0.656 . . . . 1.04 109.228 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.524 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.0 m-20 -66.12 -43.68 86.44 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.738 -0.665 . . . . 1.75 110.017 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.24 -39.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.425 -0.807 . . . . 1.07 110.0 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.37 92.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.289 -0.869 . . . . 1.08 110.406 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.87 -25.27 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 2.21 111.118 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 5.8 t80 -79.15 -38.68 35.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 2.38 110.749 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.91 -18.78 25.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.515 -0.311 . . . . 1.05 111.659 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 35.26 12.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.52 111.846 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.1 -166.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.486 -0.357 . . . . 1.12 110.695 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -100.44 156.72 17.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.26 -0.644 . . . . 1.37 109.26 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.97 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 50.2 p90 -59.79 -31.92 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.284 0.564 . . . . 2.19 110.421 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HG3' ' O4 ' ' C' ' 7' ' ' ' DT' . 0.1 OUTLIER -66.34 -38.49 87.76 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.632 -0.713 . . . . 1.64 110.311 179.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.632 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.9 m -65.68 -41.17 92.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.519 -0.549 . . . . 1.14 109.519 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.564 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.9 t -58.93 -52.61 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.806 -0.634 . . . . 1.02 110.389 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.0 t -60.49 -35.42 75.87 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.88 110.529 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.798 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.5 mtm180 -64.75 -31.69 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 2.6 110.596 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 19' ' ' THR . 85.0 t -81.04 -43.25 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 1.18 110.06 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.606 HG23 ' HE2' ' A' ' 47' ' ' TYR . 59.8 t -60.15 -42.51 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 1.08 110.624 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -83.64 -19.0 36.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 1.72 111.294 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 57.97 50.3 10.47 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.25 0.548 . . . . 5.44 110.28 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -159.06 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.257 -0.883 . . . . 2.79 111.188 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -83.42 170.46 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 1.87 110.28 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' HA ' ' OP2' ' C' ' 4' ' ' ' DT' . 0.1 OUTLIER 61.33 31.33 19.31 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.194 0.598 . . . . 0.77 111.285 -178.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.798 HG21 ' HB3' ' A' ' 22' ' ' ARG . 5.0 t -120.66 103.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 1.66 111.4 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.443 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 89.9 p -74.99 155.82 36.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.847 -0.615 . . . . 1.3 110.261 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -68.86 -27.06 65.48 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.791 -0.448 . . . . 1.73 109.791 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -55.41 -50.58 69.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.375 -0.829 . . . . 3.81 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.618 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -81.61 -33.35 31.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.318 -0.401 . . . . 1.21 110.723 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -52.96 -47.3 68.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 3.82 111.444 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 36.8 mt-10 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.126 0.787 . . . . 1.45 113.126 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.618 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.2 ptpt -85.84 -28.3 24.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.439 -0.505 . . . . 1.59 110.999 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 34' ' ' THR . 93.5 t -77.58 -42.36 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 1.07 110.101 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 40.2 mt-10 -64.48 -30.09 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.257 0.551 . . . . 1.59 109.661 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.19 -41.23 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 1.17 110.679 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.611 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -66.87 -44.39 81.07 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.117 -0.492 . . . . 1.08 111.364 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.0 ptp -66.49 -13.68 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.11 111.779 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.66 -12.03 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.273 0.559 . . . . 1.23 110.204 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 81.7 mm-40 -86.63 -61.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.485 -0.78 . . . . 1.36 111.392 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.775 ' HG ' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -78.88 -1.84 37.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.765 -0.652 . . . . 2.46 112.644 -179.108 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' N ' HD23 ' A' ' 45' ' ' LEU . 89.7 m-20 67.42 65.63 0.4 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.319 0.58 . . . . 2.45 110.747 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.742 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.6 t80 -70.35 134.39 47.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.681 -0.69 . . . . 2.01 111.14 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -109.47 105.58 57.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.772 -0.649 . . . . 1.83 110.445 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.13 104.24 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.434 2.089 . . . . 0.65 110.322 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -72.36 101.86 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.101 -0.5 . . . . 0.54 111.376 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.24 -18.07 60.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.815 -0.63 . . . . 5.89 110.401 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.576 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.3 OUTLIER -74.45 -40.93 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.254 -0.647 . . . . 0.83 109.254 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.516 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -68.01 -30.2 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 1.18 109.193 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -69.32 -31.82 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.189 -0.914 . . . . 1.41 109.495 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HA ' ' HB2' ' A' ' 59' ' ' LYS . 12.4 mt-30 -77.07 -8.26 57.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 2.53 109.938 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.717 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.7 tp -102.85 -42.93 5.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 1.27 110.813 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -84.86 -45.05 12.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.595 . . . . 1.24 112.122 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.01 -8.51 59.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.819 -0.705 . . . . 1.14 113.315 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 55' ' ' GLN . 32.7 mmtp -130.42 168.79 16.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.332 -0.247 . . . . 6.76 110.332 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.462 HE22 ' HB3' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 72.69 127.55 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.99 0.806 . . . . 7.2 111.772 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.82 40.83 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.484 -0.78 . . . . 7.21 109.559 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HB3' HE22 ' A' ' 60' ' ' GLN . 50.1 tp . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.36 -0.828 . . . . 10.03 110.753 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttt . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.91 0.386 . . . . 7.98 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -128.37 102.19 21.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 5.32 110.778 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.36 92.45 1.01 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.898 2.399 . . . . 1.82 112.001 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.631 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.1 t -72.08 135.19 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 1.33 110.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.494 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 18.7 p -96.65 172.67 7.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.697 -0.683 . . . . 1.12 110.646 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.822 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -79.87 -8.32 59.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.64 -1.244 . . . . 1.37 107.64 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.794 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 24.4 m-85 -79.34 -39.04 33.7 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.612 -1.631 . . . . 2.18 109.735 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.25 -40.15 93.62 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.416 -0.811 . . . . 1.31 110.354 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.494 ' HA ' HD21 ' B' ' 45' ' ' LEU . 58.4 t -60.7 -38.34 78.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.504 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -67.31 -45.63 75.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.493 -0.776 . . . . 1.07 111.659 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.15 -43.91 95.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.744 -0.662 . . . . 2.34 111.421 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.528 ' CB ' HD23 ' B' ' 45' ' ' LEU . 56.7 t80 -65.68 -41.89 91.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 2.46 111.616 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -75.51 -19.21 59.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 1.18 111.812 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.27 21.46 54.67 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.025 -0.607 . . . . 0.61 112.896 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.48 179.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 110.261 -0.274 . . . . 1.11 110.261 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -78.97 158.21 28.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.444 -0.947 . . . . 0.78 108.444 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.614 ' HA ' ' HB1' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -65.12 -20.04 66.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.088 0.47 . . . . 2.39 110.798 -179.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 10.6 mt-30 -81.81 -20.68 38.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.23 -0.441 . . . . 1.4 110.514 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.433 ' O ' HG22 ' B' ' 23' ' ' VAL . 7.9 m -64.16 -33.9 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.788 -1.189 . . . . 1.15 107.788 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.425 HG11 ' CG1' ' B' ' 38' ' ' VAL . 39.8 t -76.99 -39.97 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 114.181 -1.372 . . . . 1.1 108.65 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 6.7 t -55.89 -40.06 72.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.47 -0.786 . . . . 1.34 110.619 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 37.9 mmt180 -65.45 -41.72 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.574 . . . . 3.18 110.665 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.672 HG23 HG13 ' B' ' 30' ' ' VAL . 46.1 t -70.55 -39.21 75.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.008 -0.542 . . . . 1.18 110.407 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.66 -39.96 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.697 -0.683 . . . . 1.35 110.807 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -67.62 -68.53 0.38 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.912 0.386 . . . . 1.68 110.059 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -144.38 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 4.55 110.182 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.01 22.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 2.15 110.623 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.402 ' O ' HG21 ' B' ' 30' ' ' VAL . 2.5 p -84.37 138.62 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 2.51 110.757 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.446 ' HB2' ' H72' ' D' ' 5' ' ' ' DT' . 0.1 OUTLIER 59.97 32.72 21.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.917 0.487 . . . . 1.63 110.558 -179.058 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.672 HG13 HG23 ' B' ' 23' ' ' VAL . 6.4 t -127.75 124.68 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.661 -0.496 . . . . 1.84 109.661 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.541 ' HG ' " C3'" ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER -81.81 164.44 21.65 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.883 -0.414 . . . . 1.42 109.883 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.65 92.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.399 . . . . 1.59 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -60.78 -45.41 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.689 -0.687 . . . . 3.76 111.672 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -43.41 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.086 0.402 . . . . 1.34 112.086 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.68 -38.64 82.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.842 0.353 . . . . 3.81 110.703 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.16 -41.75 63.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 2.09 110.602 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.69 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 25.4 ttpt -65.5 -44.48 86.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 2.16 111.65 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' B' ' 42' ' ' MET . 69.5 t -64.74 -51.61 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.376 . . . . 1.14 111.774 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.37 -32.84 73.7 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.199 -0.2 . . . . 1.79 111.395 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.35 -36.17 66.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 1.38 110.427 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.432 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -64.94 -29.07 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 1.14 110.643 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.488 ' HE2' HG13 ' B' ' 38' ' ' VAL . 64.4 mtt -60.62 -21.75 63.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.718 -0.674 . . . . 1.14 111.157 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.43 18.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 1.26 110.961 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.82 -49.03 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 1.55 110.902 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.573 ' O ' HG22 ' B' ' 4' ' ' VAL . 1.1 mm? -83.36 -14.55 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 1.58 110.322 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.444 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.8 t-20 68.06 55.57 0.55 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.308 -1.367 . . . . 1.87 107.308 -176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.631 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -57.01 116.89 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.015 -1.448 . . . . 2.23 112.655 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 46' ' ' ASN . 66.1 mt -126.27 94.08 41.86 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 114.402 -1.272 . . . . 1.97 107.84 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -32.03 127.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 124.697 3.598 . . . . 0.95 114.973 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.3 m120 -52.56 99.55 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.086 0.866 . . . . 1.64 110.095 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.88 -28.99 69.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.939 0.399 . . . . 5.46 111.252 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.9 m -83.04 -58.42 2.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.086 0.402 . . . . 0.92 112.086 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.452 ' HB2' " O4'" ' C' ' 13' ' ' ' DG' . . . -69.98 -37.05 75.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 1.22 113.645 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.603 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 69.4 mt-30 -74.51 -40.9 61.48 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.35 0.523 . . . . 1.49 112.275 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.02 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.166 -0.679 . . . . 3.16 109.166 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.829 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.1 tp -69.83 -68.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.893 -1.048 . . . . 1.2 110.135 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.91 ' HB3' ' H22' ' C' ' 13' ' ' ' DG' . . . -54.22 -37.14 64.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 1.12 113.741 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.38 82.54 1.14 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.706 -0.759 . . . . 2.13 111.365 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -57.11 114.5 2.17 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.822 0.449 . . . . 5.3 111.662 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' OP1' ' C' ' 15' ' ' ' DT' . 32.7 mt-30 54.83 -112.98 0.75 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.459 -0.791 . . . . 8.03 110.864 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -126.71 34.38 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.498 -0.556 . . . . 7.32 109.498 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.972 -1.013 . . . . 8.36 110.863 -179.403 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.429 HO5' " H2'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O4'-C1'-C2' 107.173 0.975 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.515 ' C6 ' ' C6 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 107.101 0.91 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.64 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.126 0.933 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.64 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 O4'-C1'-N19 108.669 1.086 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.515 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C2'-C3'-O3' 113.557 1.095 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.513 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.504 ' O4 ' ' HG3' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.047 0.861 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.421 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.046 0.86 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.446 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.296 -0.904 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.466 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C4'-C3'-C2' 102.378 -0.822 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.717 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.061 0 C2'-C3'-O3' 115.361 1.763 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.91 ' H22' ' HB3' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 109.709 2.386 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.822 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.418 -1.345 0 C5'-C4'-C3' 117.75 2.033 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.411 ' OP1' ' HA ' ' B' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 106.996 0.815 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.504 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.406 -0.794 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.504 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.365 -0.835 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.457 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.444 -0.756 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.527 ' C8 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.527 ' H73' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C4'-C3'-C2' 102.378 -0.822 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.508 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 102.381 -0.819 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.506 ' H71' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 N19-C1'-C2' 115.512 0.82 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 102.401 -0.799 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.609 0 C4'-C3'-C2' 102.293 -0.907 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.59 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C1'-C2' 107.078 0.889 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.59 " H5'" " H1'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 N19-C1'-C2' 116.421 1.388 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.462 " H5'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 116.232 1.27 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.656 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.553 0.941 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.656 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C5'-C4'-C3' 116.332 1.088 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.448 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.064 0.876 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.522 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C4'-C3'-C2' 102.14 -1.06 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.522 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-N19 108.43 0.788 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.458 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.225 -0.975 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.793 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.656 0 C4'-C3'-O3' 113.019 1.236 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.829 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 N19-C1'-C2' 116.94 1.713 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.626 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.746 2.432 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.542 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C4'-C3'-C2' 102.35 -0.85 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.473 ' H42' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.07 0.882 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.441 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.404 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.067 0.879 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.53 ' C8 ' ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C4'-C3'-C2' 102.197 -1.003 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.577 ' C6 ' ' H73' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.043 0.858 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.577 ' H73' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 N19-C1'-C2' 115.602 0.877 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.414 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 N19-C1'-C2' 115.445 0.778 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.837 0.351 . . . . 6.78 110.157 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -139.99 77.63 25.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.421 . . . . 5.1 111.057 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -85.33 88.79 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.912 2.408 . . . . 1.67 111.7 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 1.27 109.89 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 1.07 110.129 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.887 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 1.11 110.724 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 1.07 109.927 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 1.08 111.276 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 2.38 111.066 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 1.05 111.243 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 1.12 109.997 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.478 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.37 109.175 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.887 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 2.19 110.157 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.64 109.49 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.14 109.71 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' HG21 ' A' ' 24' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 1.02 109.744 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.88 109.977 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.6 110.354 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 1.18 109.712 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 1.08 112.687 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 5.44 111.104 -178.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.79 112.094 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.87 106.701 179.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.641 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.77 111.201 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.66 109.55 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' HG ' ' P ' ' C' ' 5' ' ' ' DT' . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.73 111.249 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.81 110.569 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 1.21 110.957 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.82 110.693 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 1.59 110.921 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 1.07 110.74 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.59 110.332 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 1.17 110.61 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 1.08 111.161 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 1.11 111.123 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 1.23 110.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.36 110.435 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 12' ' ' TYR . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 2.46 111.484 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.45 109.414 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 2.01 112.179 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.83 109.988 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.65 111.998 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54 111.287 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.89 110.399 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.83 109.903 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 1.18 109.945 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.41 109.591 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.53 110.442 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.27 111.062 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB1' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 1.24 110.405 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.42 19.77 49.55 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.14 112.047 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 24.9 tptp -93.9 7.6 44.37 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.145 0.498 . . . . 6.76 110.326 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 34.6 tt0 -50.27 124.36 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.565 -0.743 . . . . 7.2 110.752 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -79.04 65.06 4.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.293 0.568 . . . . 7.21 110.998 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.388 -0.824 . . . . 10.03 109.889 179.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.41 0.148 . . . . 7.98 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.519 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 63.7 tttp -58.17 -54.43 55.78 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.761 0.282 . . . . 5.32 111.761 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 60.6 Cg_endo -76.26 90.92 1.15 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.803 1.669 . . . . 1.82 112.117 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.602 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 58.5 t -82.53 133.71 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 1.33 109.781 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.473 HG22 ' OP1' ' C' ' 13' ' ' ' DG' . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 1.12 110.952 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.839 HD21 ' OP2' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 1.37 108.102 178.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.688 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 2.18 109.916 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.31 109.966 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.565 ' HA ' HD22 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 1.05 109.713 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 1.07 111.388 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.34 111.354 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.587 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 2.46 111.894 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 1.18 111.762 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.61 112.242 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 1.11 110.242 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.78 108.313 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.536 ' HH ' ' C7 ' ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 2.39 110.39 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.427 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 1.4 110.51 178.578 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.581 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 1.15 109.333 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 1.1 108.188 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.405 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.34 110.985 176.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 1.0 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 3.18 111.322 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.664 HG21 HG12 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 1.18 110.537 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 1.35 112.271 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.52 ' HB3' ' NE2' ' B' ' 60' ' ' GLN . 11.3 p30 -146.95 -34.47 0.27 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.68 114.185 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 1.0 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 9.8 mm100 -82.57 73.95 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.046 -0.408 . . . . 4.55 111.128 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' B' ' 28' ' ' SER . . . -54.18 164.21 0.69 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.134 -0.939 . . . . 2.15 111.686 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.681 ' O ' HG22 ' B' ' 30' ' ' VAL . 74.6 m 71.93 179.66 0.23 Allowed 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.826 -0.805 . . . . 2.51 108.826 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.669 ' HB3' ' C7 ' ' D' ' 4' ' ' ' DT' . 2.0 p-80 37.92 36.35 0.1 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.63 115.13 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.681 HG22 ' O ' ' B' ' 28' ' ' SER . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.84 108.828 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.465 ' HG ' " H3'" ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.42 111.24 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.59 111.886 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.76 111.19 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.449 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 1.34 111.285 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.534 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.81 110.579 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.09 110.583 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 2.16 110.419 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.14 110.7 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 1.38 110.301 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 1.14 110.595 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.439 ' HE2' HG12 ' B' ' 38' ' ' VAL . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 1.14 110.437 179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.26 110.871 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 1.58 110.845 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.87 107.232 -177.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.561 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 2.23 113.139 -177.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.602 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.97 107.726 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.95 115.046 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.668 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.64 110.227 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 5.46 112.831 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.92 112.577 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.491 ' HB2' " H4'" ' C' ' 13' ' ' ' DG' . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 1.22 113.353 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 3.16 109.229 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.809 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 1.2 110.821 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.642 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -56.41 -14.52 3.05 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.12 112.711 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.57 -63.69 0.27 Allowed Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.848 -0.691 . . . . 2.13 112.573 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 10.2 ttpp 64.3 92.66 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.183 0.516 . . . . 5.3 110.092 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.52 ' NE2' ' HB3' ' B' ' 25' ' ' ASN . 4.4 pp0? -49.58 146.13 4.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.252 -0.886 . . . . 8.03 111.913 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -128.23 31.98 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.851 -0.613 . . . . 7.32 110.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.307 -0.854 . . . . 8.36 110.65 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 O4'-C1'-C2' 107.122 0.929 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.437 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.247 -0.953 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.759 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.881 0 O4'-C1'-C2' 107.335 1.123 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.759 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.156 0.96 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.641 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.443 0.91 0 C2'-C3'-O3' 115.043 1.646 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.52 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O3'-C3' 120.832 0.943 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.515 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.27 -0.93 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.515 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.504 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.052 -1.148 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.5 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.492 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C5'-C4'-O4' 108.044 -0.848 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.623 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.912 0 C2'-C3'-O3' 115.391 1.774 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.688 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.615 2.269 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.839 ' OP2' HD21 ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.541 1.407 0 C5'-C4'-C3' 118.033 2.222 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.536 ' C7 ' ' HH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 116.802 1.402 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.515 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C2'-C3'-O3' 113.908 1.225 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.515 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.062 0.874 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.991 0.81 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.432 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.523 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.523 ' H71' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.291 -0.909 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.505 ' C6 ' ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 102.385 -0.815 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.505 ' H71' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.969 0.79 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C4'-C3'-C2' 102.27 -0.93 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.44 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C1'-C2' 107.217 1.015 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.545 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.669 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 116.704 1.565 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.484 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 N19-C1'-C2' 116.005 1.128 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.574 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.237 1.034 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.574 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C5'-C4'-C3' 116.343 1.095 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C5'-C4'-C3' 116.05 0.9 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.566 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.566 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.75 1.188 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.742 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-O3' 113.162 1.301 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.809 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 116.778 1.611 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.611 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-N19 109.777 2.472 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.465 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C4'-C3'-C2' 102.195 -1.005 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.465 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.245 -0.955 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.519 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.519 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.978 0.798 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.454 ' C4 ' ' N7 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.104 0.913 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.575 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.575 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.114 0.922 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.533 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.529 0.912 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.435 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 106.965 0.787 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.745 0.307 . . . . 6.78 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 18.7 tppt? -173.54 -56.53 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.0 -0.546 . . . . 5.1 110.967 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 71.9 Cg_endo -83.19 125.6 4.07 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 121.724 1.616 . . . . 1.67 112.053 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.759 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 21.4 t -74.95 134.64 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.983 -0.747 . . . . 1.27 108.983 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.69 170.37 7.92 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.389 -0.369 . . . . 1.07 110.651 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.818 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.66 -15.98 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 1.11 110.201 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.426 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 68.0 m-85 -75.6 -41.15 55.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.066 -0.716 . . . . 1.04 109.066 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.13 -39.36 89.74 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.033 -0.53 . . . . 1.75 109.978 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.47 -43.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.362 -0.836 . . . . 1.07 110.054 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.7 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.235 -0.893 . . . . 1.08 110.932 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 49.0 mt-10 -70.73 -35.39 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.138 -0.483 . . . . 2.21 111.268 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -78.99 -36.98 40.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 2.38 111.608 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB1' HG23 ' A' ' 15' ' ' VAL . . . -85.35 -12.17 52.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.814 0.34 . . . . 1.05 111.036 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.11 39.3 53.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.068 -0.813 . . . . 0.52 111.068 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG23 ' HB1' ' A' ' 13' ' ' ALA . 22.1 m -128.64 -173.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.687 0.279 . . . . 1.12 110.273 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -94.08 151.21 19.67 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.254 -0.647 . . . . 1.37 109.254 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.818 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 52.2 p90 -57.61 -31.87 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 2.19 110.664 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HB2' ' H72' ' C' ' 7' ' ' ' DT' . 1.0 OUTLIER -66.5 -33.93 76.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 1.64 110.593 178.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' HG21 ' A' ' 23' ' ' VAL . 75.9 m -66.53 -41.39 88.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.152 -0.684 . . . . 1.14 109.152 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' A' ' 38' ' ' VAL . 95.8 t -61.04 -49.39 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.525 -0.761 . . . . 1.02 110.331 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -59.26 -35.45 73.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.992 -0.549 . . . . 0.88 110.82 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.604 ' HB3' HG23 ' A' ' 30' ' ' VAL . 55.3 mtt180 -65.03 -28.11 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 2.6 110.86 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 19' ' ' THR . 58.6 t -85.58 -47.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.107 0.479 . . . . 1.18 110.689 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.594 HG22 ' HE2' ' A' ' 47' ' ' TYR . 54.0 t -57.19 -49.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.264 -0.88 . . . . 1.08 112.815 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -104.04 3.73 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.638 0.607 . . . . 1.72 112.638 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 57.96 57.72 3.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.406 0.622 . . . . 5.44 110.429 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 22' ' ' ARG . . . -89.14 20.14 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 2.79 111.562 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m 64.66 -171.52 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.943 -0.571 . . . . 1.87 110.775 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.746 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 2.3 m170 61.21 30.98 19.55 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.106 0.41 . . . . 0.77 112.106 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -131.04 122.38 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.228 0.537 . . . . 1.66 111.056 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 p -84.27 166.45 17.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.426 -0.806 . . . . 1.3 110.118 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.79 -51.25 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.872 0.693 . . . . 1.73 112.872 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -53.41 -49.54 67.08 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.063 0.394 . . . . 3.81 112.063 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.604 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.98 -40.74 75.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.161 -0.472 . . . . 1.21 111.931 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 35' ' ' ARG . 29.3 ttp-105 -59.97 -43.9 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 3.82 110.994 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.0 -40.1 72.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 1.45 112.288 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.9 ptpt -69.43 -31.16 69.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.818 0.342 . . . . 1.59 111.143 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 20' ' ' VAL . 74.4 t -76.25 -40.5 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.334 -0.394 . . . . 1.07 110.082 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 2.7 mt-10 -67.06 -29.2 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.809 -0.632 . . . . 1.59 110.009 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.86 -40.61 47.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.858 -0.61 . . . . 1.17 110.373 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.38 86.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.049 -0.523 . . . . 1.08 111.412 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.715 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.7 ptp -70.77 -10.59 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.443 -0.344 . . . . 1.11 111.206 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.73 17.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.198 0.523 . . . . 1.23 110.099 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -71.55 -50.21 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.778 0.799 . . . . 1.36 110.612 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -7.15 58.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.418 -1.264 . . . . 2.46 111.18 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 59.87 62.25 1.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.027 0.917 . . . . 2.45 109.635 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.534 -1.212 . . . . 2.01 111.267 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.68 112.44 53.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.451 -0.795 . . . . 1.83 110.276 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.88 139.61 88.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.394 2.063 . . . . 0.65 112.062 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -99.67 110.11 22.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.196 0.522 . . . . 0.54 110.765 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -77.71 -23.71 49.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 5.89 111.187 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -36.05 62.52 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.42 -0.585 . . . . 0.83 109.42 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -69.37 -33.1 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.432 -0.804 . . . . 1.18 109.048 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.83 -38.64 86.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.108 -0.951 . . . . 1.41 109.66 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.734 HE22 ' HA ' ' A' ' 61' ' ' SER . 15.1 mm100 -65.83 -32.23 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 2.53 110.243 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.669 HD22 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.6 tp -78.21 -50.13 12.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.655 -0.702 . . . . 1.27 110.616 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.6 -40.93 96.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.534 -0.757 . . . . 1.24 111.818 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.31 -14.41 71.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.99 -0.624 . . . . 1.14 112.073 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' HG3' ' OP1' ' C' ' 12' ' ' ' DG' . 42.8 tttm 69.7 -52.9 0.62 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.762 0.825 . . . . 6.76 112.219 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -88.34 162.27 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.27 -0.423 . . . . 7.2 110.163 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.734 ' HA ' HE22 ' A' ' 55' ' ' GLN . 73.4 m -78.73 125.92 30.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.933 0.397 . . . . 7.21 111.207 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.767 -0.635 . . . . 10.03 110.086 179.416 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttm . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.672 0.272 . . . . 7.98 110.43 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 25.1 mmtt -85.53 123.68 72.43 Favored Pre-proline 0 N--CA 1.451 -0.408 0 CA-C-O 120.74 0.305 . . . . 5.32 110.236 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 6.0 Cg_exo -78.86 96.18 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.801 2.334 . . . . 1.82 111.436 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.59 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 29.8 t -70.03 124.34 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.201 -0.666 . . . . 1.33 109.201 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.46 ' O ' HG21 ' B' ' 9' ' ' VAL . 26.8 p -90.61 173.27 8.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.855 -0.611 . . . . 1.12 110.515 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.793 HD21 ' OP2' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -12.47 59.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.496 -1.298 . . . . 1.37 107.496 178.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.754 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 19.3 m-85 -77.13 -47.04 21.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.872 -1.513 . . . . 2.18 108.724 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -60.61 -35.78 76.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.61 -0.723 . . . . 1.31 110.31 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.46 HG21 ' O ' ' B' ' 5' ' ' THR . 94.5 t -63.98 -40.9 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.346 0.593 . . . . 1.05 110.091 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.58 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.36 -46.81 69.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.463 -0.79 . . . . 1.07 111.621 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.1 mt-10 -61.98 -35.87 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 2.34 111.053 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.514 ' CD1' HD22 ' B' ' 45' ' ' LEU . 83.2 t80 -67.69 -40.14 84.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 2.46 110.874 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -81.14 -10.52 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 1.18 111.825 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.38 56.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.077 -0.582 . . . . 0.61 112.463 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.99 168.04 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.062 -0.347 . . . . 1.11 110.062 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.3 p -68.3 147.74 51.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.423 -0.954 . . . . 0.78 108.423 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.58 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -59.84 -25.97 65.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 2.39 110.581 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.523 ' HB2' ' H72' ' D' ' 7' ' ' ' DT' . 26.7 mt-30 -73.29 -20.33 60.84 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.415 -0.357 . . . . 1.4 110.704 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.472 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 50.6 m -65.65 -36.66 84.31 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.135 -1.061 . . . . 1.15 108.135 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' B' ' 10' ' ' ALA . 41.2 t -72.17 -44.9 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.946 -1.025 . . . . 1.1 108.708 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -55.37 -35.68 65.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.013 -0.54 . . . . 1.34 110.889 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.735 ' HD2' ' HB2' ' B' ' 29' ' ' HIS . 47.3 mtm-85 -68.64 -41.11 79.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 3.18 110.508 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.017 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 48.4 t -72.69 -39.89 60.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.271 0.558 . . . . 1.18 110.181 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.02 -34.16 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 1.35 111.059 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -75.47 -80.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 1.68 111.049 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -128.22 10.9 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.04 0.385 . . . . 4.55 112.04 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.017 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . 54.91 43.08 30.51 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.148 0.796 . . . . 2.15 113.148 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.5 t -112.75 169.82 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.929 -0.397 . . . . 2.51 109.929 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.735 ' HB2' ' HD2' ' B' ' 22' ' ' ARG . 1.0 OUTLIER 62.16 35.39 15.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.886 0.474 . . . . 1.63 110.182 -178.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.586 HG13 ' HB ' ' B' ' 34' ' ' THR . 0.0 OUTLIER -136.66 130.79 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 1.84 109.833 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.467 ' HG ' ' P ' ' D' ' 5' ' ' ' DT' . 0.0 OUTLIER -76.69 37.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.679 0.992 . . . . 1.42 113.679 -177.49 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.11 -57.64 0.47 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.87 0.868 . . . . 1.59 112.033 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -56.94 -38.55 73.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 3.76 110.148 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.586 ' HB ' HG13 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -62.14 -44.76 95.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.662 -0.699 . . . . 1.34 110.501 179.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -59.87 -50.7 72.76 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.192 0.52 . . . . 3.81 110.31 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.11 -41.07 87.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.124 -0.944 . . . . 2.09 111.608 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 34.4 ttpt -70.24 -40.09 74.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.738 0.304 . . . . 2.16 110.813 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.542 HG12 ' HE2' ' B' ' 42' ' ' MET . 55.7 t -66.93 -47.93 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 1.14 110.185 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.24 -32.42 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 1.79 110.347 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.38 -41.55 80.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.681 -0.489 . . . . 1.38 109.681 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' B' ' 9' ' ' VAL . . . -60.78 -33.61 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 1.14 110.601 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.542 ' HE2' HG12 ' B' ' 38' ' ' VAL . 67.8 mtt -63.81 -22.76 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.539 -0.755 . . . . 1.14 110.708 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.68 -28.14 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 1.26 111.358 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 78.5 mm-40 -68.41 -52.24 35.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.353 0.597 . . . . 1.55 110.708 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -90.24 -6.02 55.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 1.58 111.714 -178.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 61.37 67.16 0.8 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.407 -0.961 . . . . 1.87 108.407 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.59 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.9 t80 -58.16 110.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.516 -1.22 . . . . 2.23 112.524 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -109.64 95.95 21.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.965 -1.124 . . . . 1.97 107.965 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -35.41 130.06 0.28 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.165 3.243 . . . . 0.95 114.116 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.68 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.1 m120 -44.98 108.83 0.13 Allowed 'General case' 0 C--O 1.222 -0.351 0 O-C-N 124.21 0.943 . . . . 1.64 110.443 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -72.0 -38.93 69.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.689 0.28 . . . . 5.46 111.225 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 20.7 m -83.45 -53.66 5.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.92 112.046 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.493 ' HB2' " H4'" ' C' ' 13' ' ' ' DG' . . . -67.65 -41.27 84.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.707 1.003 . . . . 1.22 113.707 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.68 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 68.8 mt-30 -73.44 -31.9 64.08 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.373 -0.531 . . . . 1.49 111.43 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.44 -28.83 64.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.714 0.769 . . . . 3.16 109.176 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.922 HD23 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -75.05 -67.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.472 -1.24 . . . . 1.2 110.193 178.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.752 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -52.89 -44.2 66.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.041 -0.981 . . . . 1.12 112.505 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.09 92.13 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.418 -0.896 . . . . 2.13 112.548 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.43 ' HG2' " O3'" ' C' ' 14' ' ' ' DA' . 9.7 mtpm? -66.32 -57.99 6.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.236 0.541 . . . . 5.3 111.642 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -132.08 11.51 4.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.657 -0.702 . . . . 8.03 111.81 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -35.92 41.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 7.32 110.264 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.696 -0.669 . . . . 8.36 110.246 179.734 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.415 HO5' " H2'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 107.165 0.968 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.419 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C4'-C3'-C2' 102.143 -1.057 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.717 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-O3' 107.92 -1.082 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.717 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 O4'-C1'-C2' 107.125 0.932 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.746 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 N19-C1'-C2' 116.719 1.575 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.515 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.469 ' H72' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 102.336 -0.864 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.481 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C4'-C3'-C2' 102.178 -1.022 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.484 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.026 0.841 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.484 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 O4'-C1'-C2' 107.186 0.987 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.435 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.405 -0.795 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.669 ' C2 ' HD22 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.444 1.023 0 C2'-C3'-O3' 115.279 1.733 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.754 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 109.681 2.352 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.793 ' OP2' HD21 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.509 0 C5'-C4'-C3' 117.858 2.105 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.427 " H5'" " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-C2' 106.963 0.785 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.516 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.163 0.966 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.516 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.366 -0.834 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.499 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.065 0.878 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.428 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C4'-C3'-C2' 102.229 -0.971 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.498 ' C8 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C4'-C3'-C2' 102.337 -0.863 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.498 ' H73' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 102.254 -0.946 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.457 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.366 -0.834 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.432 ' H73' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 N19-C1'-C2' 115.781 0.988 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.413 " O5'" ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.157 0.961 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.213 -0.987 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.657 ' C8 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.817 0 C4'-C3'-O3' 108.173 -0.967 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.657 ' H71' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 N19-C1'-C2' 115.739 0.962 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.733 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 N19-C1'-C2' 116.575 1.484 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.618 ' C8 ' ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 107.127 0.933 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.618 ' H71' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 102.366 -0.834 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.083 0.894 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.512 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C5'-C4'-C3' 115.971 0.847 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.512 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 106.929 0.754 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.448 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.118 0.925 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.758 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.845 0 C4'-C3'-O3' 113.344 1.384 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.922 ' C2 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 N19-C1'-C2' 116.828 1.643 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 109.741 2.426 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.456 " H5'" ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 N19-C1'-C2' 115.598 0.874 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.46 ' H42' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C4'-C3'-C2' 102.241 -0.959 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.442 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.227 -0.973 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.405 ' OP2' H2'' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.498 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.206 1.006 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.518 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.518 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.356 -0.844 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.419 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 106.972 0.793 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C4'-C3'-C2' 102.38 -0.82 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.873 0.368 . . . . 6.78 110.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -90.64 146.12 33.58 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 116.275 -0.42 . . . . 5.1 110.544 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.55 107.57 1.65 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.969 2.446 . . . . 1.67 111.592 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 34.1 t -74.74 142.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 1.27 110.091 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.571 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -108.26 168.08 9.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.413 -0.358 . . . . 1.07 110.494 -179.01 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.698 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -65.32 -18.62 65.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 1.11 110.672 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -76.51 -34.1 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.508 -0.553 . . . . 1.04 109.508 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -36.25 73.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.76 -0.655 . . . . 1.75 109.642 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.58 -44.67 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.3 -0.864 . . . . 1.07 110.119 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.25 97.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.533 -0.758 . . . . 1.08 111.123 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -66.71 -30.79 71.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 2.21 111.535 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.403 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 41.7 t80 -81.14 -33.02 33.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 2.38 111.108 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 15' ' ' VAL . . . -85.41 -19.35 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.347 . . . . 1.05 110.956 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.6 25.63 35.06 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.909 -0.876 . . . . 0.52 110.909 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG23 ' HB1' ' A' ' 13' ' ' ALA . 33.8 m -121.65 -167.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.995 -0.372 . . . . 1.12 109.995 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 m -110.01 155.24 22.07 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.356 -0.609 . . . . 1.37 109.356 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 46.0 p90 -55.17 -31.04 61.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.361 . . . . 2.19 111.144 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.502 HE21 ' CZ ' ' A' ' 22' ' ' ARG . 52.7 tp60 -64.1 -33.98 77.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.64 109.794 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' HG21 ' A' ' 23' ' ' VAL . 60.9 m -75.67 -37.17 59.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 1.14 109.837 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 24' ' ' VAL . 80.4 t -60.83 -55.17 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.849 -0.614 . . . . 1.02 110.525 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -63.46 -28.74 70.17 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.849 0.357 . . . . 0.88 110.478 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.755 ' HG3' HG22 ' A' ' 30' ' ' VAL . 19.1 tpp180 -61.46 -33.73 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.275 -0.639 . . . . 2.6 109.275 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' A' ' 35' ' ' ARG . 85.2 t -86.4 -46.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.172 -0.922 . . . . 1.18 110.452 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 20' ' ' VAL . 73.6 t -56.95 -42.38 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 115.886 -0.597 . . . . 1.08 111.664 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.51 -15.84 55.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 1.72 111.1 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 57.76 66.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.211 0.529 . . . . 5.44 110.559 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.67 -152.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 2.79 110.873 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -91.14 -177.51 4.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.603 -0.517 . . . . 1.87 109.603 179.081 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.58 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.5 m170 61.71 33.12 18.15 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.157 0.429 . . . . 0.77 112.157 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.755 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -122.03 120.93 62.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.466 -0.494 . . . . 1.66 111.843 -179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 94.5 p -93.91 149.55 21.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.633 -0.712 . . . . 1.3 109.676 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.84 -44.51 82.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.106 0.254 . . . . 1.73 111.549 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -50.65 -49.8 56.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 3.81 112.414 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.563 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -79.49 -34.2 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.647 -0.421 . . . . 1.21 111.749 -179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' A' ' 23' ' ' VAL . 44.3 ttp180 -61.79 -36.68 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 3.82 110.454 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 43.7 mt-10 -73.35 -25.9 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.494 0.553 . . . . 1.45 112.494 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.7 ptpt -91.57 -28.17 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.604 -0.438 . . . . 1.59 111.31 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 34' ' ' THR . 78.6 t -72.16 -43.73 65.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.883 0.373 . . . . 1.07 110.532 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 22.8 mt-10 -69.03 -23.35 64.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.179 0.514 . . . . 1.59 110.258 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.81 -41.61 29.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.17 110.274 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -66.73 -40.66 88.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 1.08 111.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -71.69 -10.32 59.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 1.11 111.156 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.34 -21.19 19.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 1.23 110.122 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 18.1 mm-40 -81.35 -51.07 8.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.913 0.863 . . . . 1.36 110.965 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -82.57 -8.51 59.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.41 -1.268 . . . . 2.46 111.621 -178.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.97 61.93 0.91 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.678 0.751 . . . . 2.45 109.247 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.701 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.9 t80 -76.33 130.67 38.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 2.01 111.732 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -117.33 107.25 45.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 1.83 109.751 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.16 121.66 9.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.65 112.251 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 50.5 m-80 -74.27 113.75 11.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.196 -0.456 . . . . 0.54 111.138 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 16.7 mmt180 -77.53 -27.93 51.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 5.89 111.615 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.642 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.34 -39.77 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.389 0.614 . . . . 0.83 109.569 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -67.75 -33.73 75.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.358 -0.837 . . . . 1.18 109.499 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.44 -36.49 74.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.466 -0.788 . . . . 1.41 109.444 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 1.078 ' HA ' ' HB2' ' A' ' 59' ' ' LYS . 53.9 mt-30 -79.04 5.44 11.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.4 -0.818 . . . . 2.53 110.693 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD23 ' C2 ' ' C' ' 12' ' ' ' DG' . 19.2 tp -116.55 -48.43 2.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.401 -0.818 . . . . 1.27 109.626 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.486 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -65.79 -51.02 62.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.07 -0.968 . . . . 1.24 112.373 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -113.67 -35.59 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.337 -0.935 . . . . 1.14 112.98 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 1.078 ' HB2' ' HA ' ' A' ' 55' ' ' GLN . 65.0 mttm -95.14 -170.33 2.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.754 0.312 . . . . 6.76 110.476 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 3.9 mm-40 -141.26 131.69 25.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 7.2 110.56 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -90.47 67.46 6.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.64 -0.709 . . . . 7.21 110.162 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD21 ' HD2' ' B' ' 3' ' ' PRO . 13.3 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.607 -0.724 . . . . 10.03 111.005 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.785 -0.45 . . . . 7.98 109.785 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? 60.3 83.58 0.21 Allowed Pre-proline 0 N--CA 1.465 0.298 0 O-C-N 123.717 0.636 . . . . 5.32 110.826 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.605 ' HD2' HD21 ' A' ' 62' ' ' LEU . 53.1 Cg_endo -71.41 97.67 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.342 2.028 . . . . 1.82 111.792 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 92.1 t -72.29 134.46 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.661 -0.699 . . . . 1.33 110.337 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.57 HG22 ' OP1' ' C' ' 13' ' ' ' DG' . 29.9 p -99.45 177.73 5.09 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.545 -0.752 . . . . 1.12 110.499 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.838 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -78.12 -11.6 59.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.847 -1.168 . . . . 1.37 107.847 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.833 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 26.1 m-85 -75.16 -40.63 59.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.797 -1.547 . . . . 2.18 110.112 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' HG13 ' B' ' 4' ' ' VAL . 21.8 m-20 -64.87 -40.11 94.62 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 1.31 110.4 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' HD22 ' B' ' 45' ' ' LEU . 52.4 t -60.52 -39.82 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 1.05 110.676 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -70.87 -45.53 64.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.475 -0.784 . . . . 1.07 111.502 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -42.57 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 2.34 111.258 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.604 ' CB ' HD21 ' B' ' 45' ' ' LEU . 76.5 t80 -66.69 -41.67 87.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 2.46 111.091 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.413 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -74.57 -13.23 60.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.963 -0.562 . . . . 1.18 111.81 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.99 77.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.61 112.372 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' B' ' 13' ' ' ALA . 26.9 m -114.37 173.49 3.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 110.374 -0.232 . . . . 1.11 110.374 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 86.5 p -72.36 155.73 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.744 -0.835 . . . . 0.78 108.744 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.56 ' HD2' ' CD2' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -67.05 -18.43 65.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.503 0.668 . . . . 2.39 109.875 -179.258 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 21.5 mt-30 -81.33 -19.88 41.88 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.675 -0.693 . . . . 1.4 110.16 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -66.74 -36.03 81.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.978 -1.119 . . . . 1.15 107.978 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.9 t -76.09 -38.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.494 -1.23 . . . . 1.1 108.946 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.2 t -55.18 -35.54 64.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.276 -0.875 . . . . 1.34 110.415 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' B' ' 29' ' ' HIS . 24.8 mtt180 -68.69 -48.22 64.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 3.18 110.643 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.52 -36.4 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.41 0.624 . . . . 1.18 110.08 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.457 HG23 HD11 ' B' ' 6' ' ' LEU . 13.1 t -70.64 -35.02 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 1.35 110.721 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.13 -86.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 1.68 111.061 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -153.18 44.79 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.405 -0.816 . . . . 4.55 109.977 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.11 -135.54 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.747 0.655 . . . . 2.15 110.116 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p 65.23 137.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.665 0.786 . . . . 2.51 111.912 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.868 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 2.5 m170 62.25 24.82 14.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.664 -0.698 . . . . 1.63 111.447 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 122.71 56.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.79 0.328 . . . . 1.84 110.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.408 ' HG ' " C3'" ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER -76.93 158.41 30.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.876 -0.602 . . . . 1.42 110.206 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -45.42 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.854 0.316 . . . . 1.59 111.854 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.93 -42.23 97.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.542 0.571 . . . . 3.76 112.542 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -79.89 -42.42 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.757 -0.377 . . . . 1.34 111.793 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -56.44 -50.56 71.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 3.81 111.286 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -71.42 -26.6 62.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 2.09 111.21 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.48 -38.94 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 2.16 110.117 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.427 HG13 ' HE2' ' B' ' 42' ' ' MET . 51.5 t -60.61 -49.77 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 1.14 110.527 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.73 -36.03 79.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.595 -0.73 . . . . 1.79 110.802 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.44 -40.56 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 1.38 110.781 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' B' ' 9' ' ' VAL . . . -61.72 -32.42 72.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.912 -0.585 . . . . 1.14 110.683 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.427 ' HE2' HG13 ' B' ' 38' ' ' VAL . 66.0 mtt -59.57 -25.71 64.8 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.87 -0.605 . . . . 1.14 110.667 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.37 -21.0 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 1.26 111.253 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.81 -46.52 18.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.55 110.586 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.604 HD21 ' CB ' ' B' ' 12' ' ' TYR . 1.0 OUTLIER -81.98 -16.21 51.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 1.58 110.422 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.487 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.5 t-20 68.82 61.29 0.34 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.074 -1.454 . . . . 1.87 107.074 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.6 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.3 t80 -55.0 108.37 0.4 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.25 -1.341 . . . . 2.23 112.554 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.594 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 35.1 mm -113.64 89.54 15.92 Favored Pre-proline 0 N--CA 1.453 -0.309 0 N-CA-C 107.278 -1.379 . . . . 1.97 107.278 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.452 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 11.7 Cg_exo -27.24 126.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 1 C-N-CA 125.412 4.075 . . . . 0.95 115.607 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -74.38 68.4 1.54 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.341 -0.845 . . . . 1.64 108.771 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -45.6 -35.36 3.96 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 114.041 1.126 . . . . 5.46 114.041 -177.252 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.642 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 90.6 m -62.8 -49.02 76.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.648 -0.421 . . . . 0.92 111.601 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.484 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -84.41 -27.5 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 1.22 111.566 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.452 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 60.0 mt-30 -75.45 -35.68 60.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.784 0.29 . . . . 1.49 111.784 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -69.16 -39.72 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.182 -1.044 . . . . 3.16 108.182 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.946 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.6 tp -65.12 -64.98 0.73 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.902 -1.499 . . . . 1.2 110.888 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.944 ' HB2' ' H22' ' C' ' 13' ' ' ' DG' . . . -76.29 7.26 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.12 113.308 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 21.87 4.96 Favored Glycine 0 N--CA 1.455 -0.067 0 C-N-CA 120.604 -0.808 . . . . 2.13 112.95 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.614 ' HB2' " H4'" ' D' ' 12' ' ' ' DC' . 5.6 mttp -139.69 153.55 47.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.807 0.337 . . . . 5.3 110.324 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -134.42 101.02 4.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 8.03 110.394 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 57.9 m 65.49 104.01 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 124.02 0.825 . . . . 7.32 111.361 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.377 -0.82 . . . . 8.36 111.281 -179.119 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 106.941 0.765 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.268 -0.932 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.752 ' C8 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.226 1.023 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.752 ' H73' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 N19-C1'-C2' 115.742 0.964 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.58 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C2'-C3'-O3' 114.541 1.46 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.519 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 102.251 -0.949 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.423 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.54 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C2'-C3'-O3' 113.324 1.009 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.54 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.538 0.922 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.485 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.488 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C5'-C4'-O4' 107.944 -0.91 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.609 " H1'" " H5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.02 0 C2'-C3'-O3' 115.225 1.713 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.944 ' H22' ' HB2' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C1'-N19 109.664 2.33 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.838 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.206 0 P-O5'-C5' 117.393 -2.192 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.471 " H5'" " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.013 0.83 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.499 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.217 -0.983 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.499 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 C4'-C3'-C2' 102.278 -0.922 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.42 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.424 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.489 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.365 -0.835 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.491 " H1'" " H5'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 102.385 -0.815 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.491 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-C2' 107.036 0.851 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.459 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 N19-C1'-C2' 115.824 1.015 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.437 ' H8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.513 0 O4'-C1'-C2' 107.07 0.882 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.403 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.302 -0.898 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.686 ' C8 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C5'-C4'-C3' 116.311 1.074 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.686 ' H73' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 N19-C1'-C2' 116.017 1.136 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.868 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 N19-C1'-C2' 115.892 1.057 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.604 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 C4'-C3'-C2' 102.215 -0.985 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.604 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C5'-C4'-C3' 116.035 0.89 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.487 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 102.298 -0.902 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.561 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-N19 108.91 1.388 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.435 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.823 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-O3' 113.545 1.475 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.946 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 116.039 1.149 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.633 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-N19 109.764 2.455 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.514 ' C2 ' ' C5 ' ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.185 0 C2'-C3'-O3' 113.264 0.987 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.514 ' C5 ' ' C2 ' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.005 0.823 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.498 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C2'-C3'-O3' 112.799 0.814 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 106.979 0.799 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-C2' 102.261 -0.939 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C4'-C3'-C2' 102.311 -0.889 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.487 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 107.05 0.864 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.44 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 N19-C1'-C2' 116.018 1.136 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.436 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.026 0.841 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.129 -0.323 . . . . 6.78 110.129 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -91.58 126.72 53.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 5.1 110.377 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -76.19 85.48 1.67 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.347 2.031 . . . . 1.67 111.131 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.682 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 20.2 t -76.34 132.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.71 -0.677 . . . . 1.27 109.933 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.533 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -107.8 171.18 7.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.932 -0.576 . . . . 1.07 110.324 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.921 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -66.47 -15.72 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 1.11 110.44 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -74.54 -36.13 63.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.986 -0.746 . . . . 1.04 108.986 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.52 -40.35 85.12 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.401 -0.818 . . . . 1.75 110.035 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 t -66.73 -41.73 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.492 -0.777 . . . . 1.07 109.809 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.27 88.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.239 -0.891 . . . . 1.08 110.719 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.83 -29.45 63.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.89 0.376 . . . . 2.21 111.216 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.641 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.9 t80 -76.85 -36.18 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 2.38 111.147 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.47 -13.98 31.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.873 0.368 . . . . 1.05 111.412 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.39 33.75 38.38 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.359 -0.696 . . . . 0.52 111.359 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.4 m -123.71 -164.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.806 -0.442 . . . . 1.12 109.806 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.519 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 51.0 p -104.53 154.94 19.27 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.534 -0.543 . . . . 1.37 109.534 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.921 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.1 p90 -62.45 -27.68 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.168 0.509 . . . . 2.19 109.676 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.3 tp60 -65.74 -41.98 91.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.863 -0.791 . . . . 1.64 108.863 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.5 m -61.91 -45.26 94.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.7 -0.682 . . . . 1.14 109.343 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 24' ' ' VAL . 68.9 t -56.85 -49.17 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.35 -0.841 . . . . 1.02 110.79 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.6 t -62.31 -34.66 77.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 0.88 110.5 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 89.5 mtt-85 -69.49 -23.92 63.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 2.6 110.449 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 35' ' ' ARG . 94.2 t -85.27 -51.53 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.186 0.517 . . . . 1.18 110.224 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG21 ' HE2' ' A' ' 47' ' ' TYR . 48.8 t -60.37 -46.93 94.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 1.08 112.45 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -100.08 1.37 42.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 54.44 61.14 3.14 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.321 0.581 . . . . 5.44 109.866 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -92.58 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.593 -0.73 . . . . 2.79 111.898 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 5.0 t 60.76 -174.6 0.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.219 -0.446 . . . . 1.87 110.632 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.593 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.9 OUTLIER 59.68 33.57 21.93 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.296 0.239 . . . . 0.77 111.098 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -128.23 130.45 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.928 0.394 . . . . 1.66 111.191 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HG ' ' P ' ' C' ' 5' ' ' ' DT' . 2.4 p -101.21 155.8 17.81 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.577 -0.738 . . . . 1.3 109.243 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.5 -34.38 70.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 1.73 111.278 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 74.3 tttt -54.9 -44.69 74.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.84 -0.618 . . . . 3.81 111.795 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -93.51 -34.43 13.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.587 0.588 . . . . 1.21 112.587 -179.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.578 ' HG3' HG12 ' A' ' 23' ' ' VAL . 56.5 ttt180 -58.41 -43.3 88.58 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.029 0.381 . . . . 3.82 112.029 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 32.8 mt-10 -70.36 -27.19 64.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.649 0.611 . . . . 1.45 112.649 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 34' ' ' THR . 16.3 ptpt -81.53 -28.76 33.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.246 -0.582 . . . . 1.59 110.111 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 34' ' ' THR . 84.5 t -73.79 -42.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.495 . . . . 1.07 109.72 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 4.2 mm-40 -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 1.59 109.817 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.37 -43.51 27.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.156 -0.929 . . . . 1.17 110.873 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.65 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -60.61 -44.14 96.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 1.08 111.79 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.5 ptp -68.8 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 1.11 111.462 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.61 -10.9 30.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.155 0.502 . . . . 1.23 109.769 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.1 mm-40 -87.25 -57.11 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 1.36 111.186 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HG ' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -86.39 3.21 44.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.429 -0.805 . . . . 2.46 112.536 -179.093 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m120 62.16 66.84 0.77 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.585 0.553 . . . . 2.45 111.481 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.686 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.2 t80 -78.06 136.76 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.978 -0.556 . . . . 2.01 111.212 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.92 113.74 32.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 1.83 110.452 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.02 122.09 10.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 0.65 111.469 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -80.0 108.46 13.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.54 112.049 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -72.58 -22.77 60.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 5.89 110.892 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.84 -42.65 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.495 0.664 . . . . 0.83 109.714 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -72.03 -30.12 64.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.248 -0.887 . . . . 1.18 109.82 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -65.48 -40.35 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.393 -0.821 . . . . 1.41 110.177 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.69 -33.71 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.8 -0.636 . . . . 2.53 110.486 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.617 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.9 tp -73.94 -49.65 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.27 111.173 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' CB ' " H5'" ' D' ' 15' ' ' ' DT' . . . -63.37 -27.9 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 1.24 110.768 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.03 -2.95 87.88 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.158 -0.777 . . . . 1.14 111.158 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HG3' ' P ' ' C' ' 12' ' ' ' DG' . 61.5 tttm 70.34 -58.7 0.54 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.982 0.913 . . . . 6.76 111.726 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -88.4 105.97 17.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.141 -0.481 . . . . 7.2 110.641 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -92.22 116.95 29.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.195 -0.457 . . . . 7.21 109.866 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.283 -0.865 . . . . 10.03 111.361 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 121.158 0.504 . . . . 7.98 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 16.0 tptm -100.56 116.43 64.29 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.099 -0.5 . . . . 5.32 110.513 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 6.2 Cg_exo -73.45 96.75 0.91 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.954 2.436 . . . . 1.82 112.193 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.678 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 48.4 t -86.77 140.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.591 -0.731 . . . . 1.33 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.567 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 16.2 p -93.0 166.86 12.16 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.373 -0.603 . . . . 1.12 109.373 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.832 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -81.1 -5.81 58.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.235 -1.024 . . . . 1.37 108.235 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.711 ' CE1' " H2'" ' C' ' 13' ' ' ' DG' . 5.1 m-85 -81.18 -31.06 34.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.225 -1.352 . . . . 2.18 109.263 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.54 -32.01 69.28 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.362 -0.836 . . . . 1.31 109.119 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' B' ' 45' ' ' LEU . 46.7 t -64.67 -42.7 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.979 -1.009 . . . . 1.05 110.362 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' B' ' 20' ' ' VAL . . . -65.59 -50.54 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 1.07 111.586 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.64 -37.95 88.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 2.34 111.845 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.511 ' CB ' HD23 ' B' ' 45' ' ' LEU . 89.9 t80 -66.88 -49.2 66.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.693 0.283 . . . . 2.46 111.017 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.638 ' HB3' ' HG2' ' B' ' 37' ' ' LYS . . . -63.63 -29.4 70.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 1.18 111.342 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.07 59.85 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.589 -0.815 . . . . 0.61 111.778 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.93 164.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.042 -0.355 . . . . 1.11 110.042 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -67.97 149.15 50.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.741 -0.837 . . . . 0.78 108.741 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.649 ' HE2' ' C8 ' ' C' ' 14' ' ' ' DA' . 64.9 t80 -59.18 -30.89 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 2.39 110.831 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.45 -34.09 77.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 1.4 110.449 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.0 m -59.8 -33.87 72.29 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.637 0.732 . . . . 1.15 109.064 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' B' ' 10' ' ' ALA . 62.6 t -71.76 -52.29 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.293 -0.867 . . . . 1.1 108.946 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.5 t -48.79 -34.5 12.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.818 -0.628 . . . . 1.34 111.307 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 41.3 mmt180 -58.82 -59.55 5.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 3.18 110.492 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -60.76 -39.56 82.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.925 -0.58 . . . . 1.18 111.343 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.06 -34.51 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.716 . . . . 1.35 111.238 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.468 HD22 " H3'" ' C' ' 15' ' ' ' DT' . 8.0 m-80 -77.52 -74.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 1.68 111.371 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -169.03 47.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.302 -0.863 . . . . 4.55 109.788 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.87 -129.21 1.54 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.248 -0.887 . . . . 2.15 110.408 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 70.74 124.2 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.174 0.511 . . . . 2.51 111.53 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.433 ' HB3' ' C6 ' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 59.74 39.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.549 -0.751 . . . . 1.63 111.377 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -134.39 131.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.882 0.372 . . . . 1.84 110.538 178.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.02 167.74 10.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.891 -0.595 . . . . 1.42 109.928 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.16 71.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 1.59 111.196 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.473 ' O ' ' HE2' ' B' ' 37' ' ' LYS . 52.4 mtmt -62.31 -31.29 71.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 3.76 111.982 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.454 ' O ' HG22 ' B' ' 38' ' ' VAL . 2.9 p -103.52 -48.53 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.319 0.488 . . . . 1.34 112.319 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 33.0 ttp180 -56.0 -52.93 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.709 0.29 . . . . 3.81 111.604 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -65.02 -34.26 78.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.128 0.489 . . . . 2.09 110.277 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.638 ' HG2' ' HB3' ' B' ' 13' ' ' ALA . 24.3 ttmm -62.4 -43.04 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.752 -0.658 . . . . 2.16 111.078 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.524 HG11 ' HE1' ' B' ' 42' ' ' MET . 66.4 t -68.47 -48.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.14 110.817 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.34 -42.41 86.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.429 -0.351 . . . . 1.79 110.736 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.57 -37.28 79.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.069 -0.514 . . . . 1.38 111.017 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.4 73.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.426 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.524 ' HE1' HG11 ' B' ' 38' ' ' VAL . 66.5 mtt -61.44 -25.24 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 1.14 110.52 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.87 -29.98 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 1.26 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 47.8 mm-40 -70.26 -50.4 40.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.2 0.524 . . . . 1.55 110.166 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.522 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.5 OUTLIER -77.4 -16.69 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.6 -0.727 . . . . 1.58 110.67 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.38 49.82 2.42 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 106.523 -1.658 . . . . 1.87 106.523 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.2 t80 -53.95 122.32 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 113.507 -1.678 . . . . 2.23 112.775 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 mm -106.58 102.83 43.57 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 107.41 -1.33 . . . . 1.97 107.41 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.483 ' HA ' ' CZ ' ' B' ' 47' ' ' TYR . 21.7 Cg_exo -34.27 125.45 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 124.075 3.183 . . . . 0.95 114.672 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.567 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 5.7 m-20 -73.86 59.11 0.67 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.938 -1.028 . . . . 1.64 110.104 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -48.66 -39.65 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.112 0.782 . . . . 5.46 113.112 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.5 m -59.75 -53.28 59.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.779 0.263 . . . . 0.92 111.539 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.55 ' HB1' " H4'" ' C' ' 13' ' ' ' DG' . . . -76.76 -23.68 52.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.591 -0.277 . . . . 1.22 111.447 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.4 -41.49 56.08 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.431 0.16 . . . . 1.49 111.431 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -64.29 -38.75 92.16 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.487 -0.931 . . . . 3.16 108.487 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.865 HD23 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -63.83 -61.13 2.49 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 113.998 -1.455 . . . . 1.2 109.657 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.622 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -76.28 55.38 0.97 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.411 -0.813 . . . . 1.12 111.373 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.619 ' HA3' ' HB2' ' B' ' 62' ' ' LEU . . . -89.46 43.79 3.03 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.051 -0.595 . . . . 2.13 112.092 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 69.15 -73.06 0.09 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.43 0.692 . . . . 5.3 111.452 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -133.26 -46.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 8.03 111.024 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -148.65 -17.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.609 -0.268 . . . . 7.32 111.501 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.619 ' HB2' ' HA3' ' B' ' 58' ' ' GLY . 20.8 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.534 -0.746 . . . . 8.36 111.014 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.414 ' H8 ' " O5'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.088 0.898 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.315 -0.885 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.741 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.85 0 O4'-C1'-C2' 107.213 1.012 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.741 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.544 0 O4'-C1'-C2' 107.155 0.959 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.593 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.441 0.767 0 N19-C1'-C2' 116.176 1.235 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.55 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.488 0.861 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.434 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.154 0.958 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.434 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.422 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.211 -0.989 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.413 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O4'-C1'-C2' 107.032 0.847 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.477 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.481 -0.719 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.617 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.943 0 C2'-C3'-O3' 115.5 1.815 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.711 " H2'" ' CE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C1'-N19 109.495 2.118 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.832 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.325 0 C5'-C4'-C3' 118.371 2.447 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.475 " H5'" " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.526 0 P-O3'-C3' 120.996 1.08 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.42 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C5'-C4'-C3' 116.057 0.905 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.42 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.024 0.84 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.403 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.386 -0.814 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 102.288 -0.912 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.456 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C4'-C3'-C2' 102.337 -0.863 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.463 " H1'" " H5'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C4'-C3'-C2' 102.228 -0.972 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.079 0.89 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.458 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 115.754 0.972 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O4'-C1'-C2' 107.07 0.881 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 102.191 -1.009 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.656 ' C8 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.127 0.933 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.656 ' H73' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 N19-C1'-C2' 116.431 1.394 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.504 " H5'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 N19-C1'-C2' 116.062 1.164 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.538 " C2'" ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 102.266 -0.934 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.538 ' H73' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C4'-C3'-C2' 102.181 -1.019 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.437 ' OP2' H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 106.961 0.782 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.514 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.294 -0.906 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.514 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.034 0.849 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.416 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.41 -0.79 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.875 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C4'-C3'-O3' 113.412 1.415 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.875 ' N7 ' H2'' ' D' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 N19-C1'-C2' 116.517 1.448 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.581 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.751 2.439 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.516 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.073 0 C2'-C3'-O3' 113.413 1.042 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.516 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 106.897 0.725 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 102.222 -0.978 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.488 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 107.025 0.841 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.442 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 102.263 -0.937 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.504 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.535 0 O4'-C1'-N19 108.57 0.963 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.504 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O4'-C1'-N19 108.628 1.034 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.466 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.427 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 106.917 0.743 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HE2' ' HB3' ' A' ' 1' ' ' MET . 47.5 ttp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.826 0.346 . . . . 6.78 110.129 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -99.68 116.02 65.15 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.288 -0.415 . . . . 5.1 110.069 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -69.86 109.56 2.36 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.321 2.014 . . . . 1.67 111.555 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.708 HG12 ' HG ' ' A' ' 45' ' ' LEU . 26.1 t -81.56 130.99 34.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.798 -0.637 . . . . 1.27 109.646 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.574 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.8 OUTLIER -103.31 169.15 8.72 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.894 -0.594 . . . . 1.07 110.372 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.848 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.73 -16.9 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.525 -0.307 . . . . 1.11 110.353 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -73.71 -35.06 65.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.475 -0.565 . . . . 1.04 109.475 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.67 77.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 1.75 109.884 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.75 -42.13 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 1.07 110.294 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.22 85.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.831 . . . . 1.08 110.125 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.72 -34.58 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 2.21 110.245 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 3.6 t80 -70.24 -40.14 74.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.201 -0.454 . . . . 2.38 111.451 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.13 -15.03 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 1.05 111.354 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.49 36.53 33.67 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.098 -0.801 . . . . 0.52 111.098 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.47 -162.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.045 -0.577 . . . . 1.12 110.248 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.498 ' HB2' ' C7 ' ' C' ' 7' ' ' ' DT' . 47.3 p -104.62 157.35 17.24 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.018 -0.734 . . . . 1.37 109.018 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.848 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 45.3 p90 -65.79 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.233 -0.587 . . . . 2.19 109.514 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.9 tp60 -66.79 -39.78 87.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.57 -0.9 . . . . 1.64 108.57 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.3 m -62.49 -44.96 95.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 1.14 109.546 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' HA ' HG12 ' A' ' 38' ' ' VAL . 76.6 t -56.31 -50.81 69.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.183 -0.917 . . . . 1.02 110.603 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -61.41 -37.64 84.2 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.211 -0.45 . . . . 0.88 110.858 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.564 ' HB3' HG21 ' A' ' 30' ' ' VAL . 72.4 mtt-85 -63.23 -30.71 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.397 -0.365 . . . . 2.6 110.818 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 19' ' ' THR . 64.1 t -83.13 -48.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.18 110.407 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG21 ' HE2' ' A' ' 47' ' ' TYR . 92.4 t -59.42 -42.25 87.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.797 -0.638 . . . . 1.08 111.378 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -82.58 -17.0 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 1.72 111.079 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 62.97 57.71 1.61 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.58 0.55 . . . . 5.44 110.227 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.72 -155.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 2.79 111.796 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.62 -179.96 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.87 110.715 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.636 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.7 m170 63.67 30.21 14.88 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.793 0.437 . . . . 0.77 111.139 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 22' ' ' ARG . 1.6 t -124.45 116.94 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.566 -0.454 . . . . 1.66 111.248 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 p -84.46 149.72 25.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.712 -0.676 . . . . 1.3 109.44 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.71 -26.38 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.257 -0.429 . . . . 1.73 111.591 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 37.6 ttpt -61.97 -57.2 12.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 3.81 111.302 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.551 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.88 -29.11 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.424 0.527 . . . . 1.21 112.424 -178.508 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 35' ' ' ARG . 41.6 ttm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 3.82 111.057 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 52.0 mt-10 -74.26 -24.09 59.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.777 -0.647 . . . . 1.45 111.622 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 23.1 mtpp -77.5 -38.74 48.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 1.59 110.176 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 20' ' ' VAL . 61.0 t -71.19 -44.82 73.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 1.07 110.965 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -62.89 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.284 0.564 . . . . 1.59 110.061 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.38 -42.14 59.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.739 -0.664 . . . . 1.17 110.913 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -66.28 -42.74 88.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.08 112.066 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.751 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.4 ptp -68.13 -10.09 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.057 0.391 . . . . 1.11 112.057 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.77 -16.94 22.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.23 110.209 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -80.83 -60.01 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 1.36 110.743 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.708 ' HG ' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -81.91 0.58 39.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 2.46 112.458 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' N ' HD22 ' A' ' 45' ' ' LEU . 66.7 m-20 62.92 67.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.126 0.489 . . . . 2.45 111.01 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.751 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.1 t80 -75.15 130.89 39.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.707 -0.678 . . . . 2.01 111.43 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.93 106.66 55.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 1.83 110.327 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.3 120.26 7.84 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.526 2.151 . . . . 0.65 111.184 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 47.5 m-80 -79.66 108.32 13.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.327 -0.397 . . . . 0.54 111.535 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -73.45 -22.69 60.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 5.89 110.768 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.556 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -77.92 -41.31 36.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.357 -0.383 . . . . 0.83 110.105 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.83 -30.79 69.41 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.732 -0.667 . . . . 1.18 109.757 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.74 -41.07 88.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.799 -0.637 . . . . 1.41 110.543 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.39 -32.7 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 2.53 109.972 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.0 tp -75.35 -50.55 15.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 1.27 110.623 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.36 -31.83 72.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 1.24 110.783 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.86 1.7 87.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.029 -0.605 . . . . 1.14 111.851 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt 68.19 112.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.313 0.645 . . . . 6.76 111.616 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -103.52 128.43 50.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.402 0.62 . . . . 7.2 110.926 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -124.19 -19.56 5.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.666 -0.697 . . . . 7.21 110.169 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.549 -0.75 . . . . 10.03 110.12 -179.669 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.64 -0.133 . . . . 7.98 110.64 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 53.28 75.19 0.66 Allowed Pre-proline 0 N--CA 1.466 0.355 0 O-C-N 123.45 0.469 . . . . 5.32 111.41 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -83.52 98.46 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.511 2.141 . . . . 1.82 112.045 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.684 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.7 t -65.51 136.02 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.735 . . . . 1.33 109.556 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.578 HG23 ' OP1' ' C' ' 13' ' ' ' DG' . 16.6 p -90.75 169.25 11.12 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.843 -0.617 . . . . 1.12 111.455 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.837 HD22 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -79.44 -7.7 58.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.458 -1.312 . . . . 1.37 107.458 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.782 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 18.5 m-85 -79.78 -44.54 20.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 113.718 -1.583 . . . . 2.18 109.628 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.54 -37.19 86.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.275 -0.875 . . . . 1.31 110.989 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' B' ' 45' ' ' LEU . 56.5 t -62.64 -41.79 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.319 0.581 . . . . 1.05 109.946 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -50.27 63.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.201 -0.909 . . . . 1.07 111.189 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 91.9 mt-10 -57.64 -36.56 72.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 2.34 111.286 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.517 ' CB ' HD21 ' B' ' 45' ' ' LEU . 80.0 t80 -68.95 -51.47 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 2.46 111.205 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.71 ' HB2' ' HG2' ' B' ' 37' ' ' LYS . . . -65.09 -30.74 71.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 1.18 111.736 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.11 8.37 41.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.943 -0.646 . . . . 0.61 112.164 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.97 169.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.243 . . . . 1.11 110.345 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.92 41.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.321 -0.622 . . . . 0.78 109.321 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.76 -25.82 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 2.39 110.525 -179.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 35.1 mt-30 -73.5 -22.34 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.426 . . . . 1.4 110.424 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -67.22 -29.18 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.643 -0.873 . . . . 1.15 108.643 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' B' ' 10' ' ' ALA . 19.6 t -78.21 -41.0 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.042 -0.981 . . . . 1.1 109.066 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.407 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 50.6 m -50.82 -30.99 15.76 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.885 -0.598 . . . . 1.34 110.626 177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.12 -64.07 0.93 Allowed 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.587 -0.733 . . . . 3.18 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -58.43 -29.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 1.18 111.714 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.503 HG21 HD13 ' B' ' 6' ' ' LEU . 15.0 t -67.3 -29.19 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.29 -0.414 . . . . 1.35 111.564 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -119.52 -85.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.334 0.588 . . . . 1.68 110.677 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -115.19 103.76 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.1 -0.955 . . . . 4.55 108.908 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.69 57.25 0.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.592 -0.731 . . . . 2.15 112.779 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.443 ' O ' HG22 ' B' ' 30' ' ' VAL . 4.4 p -98.59 149.12 23.1 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.273 -1.01 . . . . 2.51 108.273 178.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.536 ' HB3' ' C6 ' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.16 34.31 21.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 1.63 109.535 -177.702 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 28' ' ' SER . 21.2 t -129.71 122.45 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 1.84 109.811 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.511 ' HG ' " C3'" ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER -78.51 161.97 26.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 1.42 110.676 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.87 -52.9 61.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.514 0.509 . . . . 1.59 111.705 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -59.6 -39.48 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 3.76 111.227 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 20.2 m -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.607 -0.269 . . . . 1.34 111.604 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' B' ' 35' ' ' ARG . 19.6 ttt85 -61.88 -50.36 72.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.167 -0.309 . . . . 3.81 110.167 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.25 -33.59 73.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.752 -0.658 . . . . 2.09 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.71 ' HG2' ' HB2' ' B' ' 13' ' ' ALA . 36.3 ttmt -63.39 -47.41 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 2.16 110.643 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.48 -47.31 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 1.14 111.508 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.44 -38.78 81.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.79 111.075 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.01 84.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 1.38 110.26 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.41 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 1.14 110.734 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 60.7 mtt -59.61 -27.05 65.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.259 -0.428 . . . . 1.14 110.297 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.87 -19.45 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 1.26 111.136 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -75.87 -51.94 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.55 110.375 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 4' ' ' VAL . 1.2 mm? -80.57 -15.72 55.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 1.58 110.463 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.484 ' O ' HG13 ' B' ' 48' ' ' ILE . 2.6 t-20 69.07 54.87 0.43 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.392 -1.336 . . . . 1.87 107.392 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.684 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.1 t80 -52.37 117.0 2.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.09 -1.414 . . . . 2.23 112.745 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 46' ' ' ASN . 78.3 mt -124.19 93.23 47.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.454 -1.248 . . . . 1.97 107.784 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.502 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.9 Cg_exo -33.43 127.88 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.795 3.663 . . . . 0.95 114.675 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.446 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.8 m120 -55.21 91.67 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.245 0 O-C-N 124.097 0.873 . . . . 1.64 110.76 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -54.38 -35.95 63.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.941 0.401 . . . . 5.46 111.638 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.556 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 19.2 m -77.99 -56.09 4.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.236 0.458 . . . . 0.92 112.236 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB1' " H4'" ' C' ' 13' ' ' ' DG' . . . -70.82 -37.39 73.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.9 1.074 . . . . 1.22 113.9 -177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.502 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 55.7 mt-30 -69.76 -45.04 68.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.301 0.5 . . . . 1.49 112.11 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -65.02 -35.36 80.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.237 0.541 . . . . 3.16 109.81 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.975 HD23 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.6 tp -67.58 -68.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.953 -1.021 . . . . 1.2 110.549 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.888 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -52.54 -36.29 55.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.257 -0.883 . . . . 1.12 112.468 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.58 78.92 1.12 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.639 -0.791 . . . . 2.13 112.559 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.541 ' HA ' H5'' ' C' ' 15' ' ' ' DT' . 17.5 pttp -75.29 -22.19 57.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.398 0.618 . . . . 5.3 109.747 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.77 44.29 2.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.271 -0.877 . . . . 8.03 110.145 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -70.35 123.57 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.898 -0.592 . . . . 7.32 110.904 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.571 -0.728 . . . . 8.36 109.942 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.583 0 O4'-C1'-C2' 107.045 0.859 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 102.336 -0.864 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.739 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.714 0 O4'-C1'-C2' 107.141 0.946 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.739 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.151 0.955 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.636 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 N19-C1'-C2' 116.162 1.226 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.46 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O4'-C1'-C2' 106.997 0.816 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.498 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C4'-C3'-C2' 102.303 -0.897 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.444 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C1'-C2' 107.015 0.832 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.444 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 102.246 -0.954 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.439 ' C4 ' ' C4 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.086 0.897 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.471 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 102.415 -0.785 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.627 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.205 0 C2'-C3'-O3' 115.599 1.852 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.888 ' H22' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 O4'-C1'-N19 109.331 1.914 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.837 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.418 -1.364 0 C5'-C4'-C3' 118.33 2.42 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.541 H5'' ' HA ' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 P-O3'-C3' 120.911 1.009 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.466 ' N6 ' ' C4 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.095 0.904 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.464 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.459 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.007 0.825 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 C4'-C3'-C2' 102.274 -0.926 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.494 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.241 -0.959 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.55 ' C6 ' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 N19-C1'-C2' 115.56 0.85 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.55 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 102.33 -0.87 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 N19-C1'-C2' 116.177 1.236 . . . . 2.58 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.457 ' H8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 107.128 0.934 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.498 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C4'-C3'-C2' 102.293 -0.907 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.701 ' C8 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O4'-C1'-C2' 107.221 1.019 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.701 ' H73' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 N19-C1'-C2' 116.481 1.425 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.53 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C2'-C3'-O3' 114.173 1.323 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.646 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 O4'-C1'-C2' 107.281 1.073 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.646 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.09 0.9 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.216 1.014 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.518 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 102.3 -0.9 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.518 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.081 0.892 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C4'-C3'-C2' 102.382 -0.818 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.91 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-O3' 113.081 1.264 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.975 ' C2 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 N19-C1'-C2' 116.373 1.358 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.609 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.485 2.106 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.496 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 106.981 0.801 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.496 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 102.369 -0.831 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.438 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 102.226 -0.974 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.438 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C4'-C3'-C2' 102.414 -0.786 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.421 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.151 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.512 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.564 0.955 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.526 ' C6 ' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.526 ' H71' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 C4'-C3'-C2' 102.322 -0.878 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.476 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.039 0.854 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tmm? . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.348 -0.241 . . . . 6.78 110.348 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -104.51 116.53 60.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 110.222 -0.288 . . . . 5.1 110.222 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.62 105.0 1.91 Allowed 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.358 2.038 . . . . 1.67 112.436 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.897 HG13 ' HG ' ' A' ' 45' ' ' LEU . 59.7 t -92.54 132.56 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.104 -0.702 . . . . 1.27 109.104 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.598 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 1.0 OUTLIER -105.1 172.64 6.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.456 -0.338 . . . . 1.07 110.657 -178.135 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.651 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -64.57 -17.65 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.122 -0.49 . . . . 1.11 110.646 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.07 -33.52 63.71 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.423 -0.353 . . . . 1.04 110.457 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HB3' HG11 ' A' ' 4' ' ' VAL . 14.4 t0 -75.53 -35.14 60.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.723 -0.473 . . . . 1.75 109.723 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.3 -43.5 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.364 -0.606 . . . . 1.07 109.364 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.84 94.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.175 -0.92 . . . . 1.08 110.078 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.614 -0.721 . . . . 2.21 110.464 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 3.7 t80 -76.07 -39.81 54.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 2.38 111.095 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.76 -16.41 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.05 111.676 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.17 33.37 32.69 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.583 -0.817 . . . . 0.52 111.425 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.3 -175.16 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.998 -0.601 . . . . 1.12 109.835 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -94.97 157.51 15.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.155 -0.684 . . . . 1.37 109.155 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.651 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 54.2 p90 -60.14 -32.66 71.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.61 -0.436 . . . . 2.19 110.928 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 10.0 tp60 -66.19 -33.25 75.33 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.109 -0.7 . . . . 1.64 109.109 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.61 -39.51 88.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.152 -0.476 . . . . 1.14 109.87 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' O ' HG21 ' A' ' 24' ' ' VAL . 52.1 t -60.06 -57.19 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 1.02 110.257 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 66.0 m -63.56 -25.25 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.88 110.393 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.7 tpp180 -61.76 -32.04 72.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 2.6 109.835 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.892 HG22 HG11 ' A' ' 30' ' ' VAL . 40.4 t -88.7 -46.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.671 -0.695 . . . . 1.18 110.165 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG22 ' HE3' ' A' ' 42' ' ' MET . 21.7 t -62.37 -55.62 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 114.439 1.274 . . . . 1.08 114.439 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -122.03 3.49 9.91 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.738 1.384 . . . . 1.72 114.738 -175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' CG ' ' HA ' ' A' ' 22' ' ' ARG . 15.2 mm100 -106.03 -45.58 4.3 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.478 -0.889 . . . . 5.44 111.356 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.65 27.22 13.93 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.42 0.629 . . . . 2.79 111.497 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 p -146.54 156.03 42.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.453 -0.794 . . . . 1.87 108.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.5 ' HB3' ' H72' ' C' ' 5' ' ' ' DT' . 4.2 m170 63.72 26.56 14.52 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.514 0.326 . . . . 0.77 111.415 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.892 HG11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -122.94 132.89 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.66 111.458 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -90.95 163.18 14.44 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.361 -0.836 . . . . 1.3 108.964 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.99 82.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 1.73 111.081 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 42.9 tttm -58.88 -45.23 90.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 3.81 111.771 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.484 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -81.67 -40.33 23.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.347 0.499 . . . . 1.21 112.347 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.576 ' HG3' HG11 ' A' ' 23' ' ' VAL . 42.3 ttp180 -57.97 -50.26 74.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.959 0.355 . . . . 3.82 111.959 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -75.64 -11.44 60.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.149 -0.478 . . . . 1.45 111.98 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 18.8 ttmm -90.53 -35.43 15.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.409 . . . . 1.59 110.28 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 34' ' ' THR . 96.3 t -75.47 -43.85 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.884 -0.598 . . . . 1.07 110.043 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 34.7 mm-40 -61.72 -31.55 71.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 1.59 109.85 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -80.61 -36.52 32.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.699 -0.682 . . . . 1.17 111.087 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.658 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.31 -44.36 83.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.356 -0.384 . . . . 1.08 111.203 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.829 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.4 ptp -69.26 -8.5 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.202 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -23.07 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.232 0.539 . . . . 1.23 110.348 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 7.3 mm-40 -78.16 -57.1 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 1.36 111.226 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.897 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -85.17 0.96 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.858 -0.61 . . . . 2.46 112.33 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 45' ' ' LEU . 12.2 t30 59.2 77.06 0.33 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.728 0.775 . . . . 2.45 110.657 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.829 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.3 t80 -82.51 138.76 34.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.982 -1.008 . . . . 2.01 110.962 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.6 112.12 34.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.83 110.321 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 119.68 6.8 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.444 2.096 . . . . 0.65 111.528 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 46.2 m-80 -76.04 105.99 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.54 111.21 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -69.26 -28.94 66.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 5.89 110.804 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.543 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.97 -42.47 66.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.821 -0.437 . . . . 0.83 109.821 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -66.69 -31.58 72.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.394 -0.595 . . . . 1.18 109.394 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -66.58 -41.87 87.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.938 -1.028 . . . . 1.41 110.326 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.16 -32.38 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.767 -0.652 . . . . 2.53 110.311 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.3 tp -77.66 -45.58 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 1.27 110.933 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' CB ' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.07 -24.27 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 1.24 110.83 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.27 56.19 3.28 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.876 -0.678 . . . . 1.14 112.266 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.54 -38.28 80.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.621 0.248 . . . . 6.76 110.632 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.93 66.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.66 . . . . 7.2 109.883 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -8.17 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.549 -0.751 . . . . 7.21 111.771 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.725 -0.655 . . . . 10.03 110.527 179.76 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.062 -0.348 . . . . 7.98 110.062 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.675 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 25.2 mtmt -109.77 -54.72 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 111.859 0.318 . . . . 5.32 111.859 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 23.0 Cg_exo -65.51 126.51 16.31 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.821 1.681 . . . . 1.82 111.647 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.745 HG22 ' O ' ' B' ' 45' ' ' LEU . 16.1 t -77.7 142.32 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 1.33 110.69 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.583 HG22 ' OP1' ' C' ' 13' ' ' ' DG' . 17.4 p -106.04 172.84 6.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.156 -0.474 . . . . 1.12 110.694 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.865 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -78.95 -10.26 59.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.803 -1.184 . . . . 1.37 107.803 179.147 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.773 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 20.5 m-85 -78.68 -33.89 46.61 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 113.857 -1.519 . . . . 2.18 109.629 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -69.34 -39.4 78.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 1.31 110.415 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.578 ' HA ' HD21 ' B' ' 45' ' ' LEU . 43.9 t -61.32 -42.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.379 -0.828 . . . . 1.05 110.853 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -63.36 -46.42 86.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 1.07 111.68 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.97 -41.35 87.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.763 -0.653 . . . . 2.34 112.029 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.481 ' HB3' HD23 ' B' ' 45' ' ' LEU . 78.6 t80 -77.02 -37.66 54.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 2.46 111.461 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.795 ' HB2' ' HG3' ' B' ' 37' ' ' LYS . . . -71.44 -27.32 63.19 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.005 0.372 . . . . 1.18 112.005 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.9 20.32 47.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.6 -0.809 . . . . 0.61 112.278 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' B' ' 13' ' ' ALA . 35.0 m -118.2 169.84 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.748 -0.464 . . . . 1.11 109.748 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -70.96 152.4 43.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.496 -0.927 . . . . 0.78 108.496 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.551 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.51 -20.7 63.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 2.39 110.254 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.466 ' OE1' ' N6 ' ' C' ' 16' ' ' ' DA' . 0.0 OUTLIER -76.49 -24.74 53.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.614 -0.721 . . . . 1.4 110.126 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -66.14 -27.72 68.25 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.053 -0.721 . . . . 1.15 109.053 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.447 HG13 ' CG1' ' B' ' 38' ' ' VAL . 2.9 t -75.22 -45.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.016 -0.993 . . . . 1.1 108.598 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.665 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 19.9 m -46.98 -36.74 8.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.901 0.48 . . . . 1.34 111.217 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 25.7 mmt180 -59.31 -60.1 4.4 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.253 -0.43 . . . . 3.18 110.664 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.05 -34.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.675 -0.693 . . . . 1.18 111.141 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.51 HG23 HD12 ' B' ' 6' ' ' LEU . 25.0 t -67.83 -33.68 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 1.35 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -73.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.178 0.514 . . . . 1.68 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -168.27 44.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.293 -0.867 . . . . 4.55 109.517 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.03 -130.63 0.64 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.816 -0.809 . . . . 2.15 108.816 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.402 ' O ' HG21 ' B' ' 30' ' ' VAL . 12.0 m 67.31 148.28 0.05 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.331 0.586 . . . . 2.51 111.806 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.663 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 0.7 OUTLIER 55.36 35.6 25.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.726 -0.67 . . . . 1.63 111.454 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.402 HG21 ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -136.96 134.39 48.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.266 -0.642 . . . . 1.84 109.266 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.5 ' HG ' ' P ' ' D' ' 5' ' ' ' DT' . 0.1 OUTLIER -84.39 35.74 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.089 0.403 . . . . 1.42 112.089 -178.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 69.27 -53.66 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.72 0.808 . . . . 1.59 111.646 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -55.89 -48.05 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.811 -0.632 . . . . 3.76 111.022 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.56 91.52 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.398 -0.364 . . . . 1.34 111.051 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -61.82 -49.87 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 3.81 110.512 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.82 -32.39 73.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.7 -0.682 . . . . 2.09 110.679 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.795 ' HG3' ' HB2' ' B' ' 13' ' ' ALA . 1.0 OUTLIER -67.33 -46.52 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.675 -0.491 . . . . 2.16 109.675 179.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.503 HG11 ' HE1' ' B' ' 42' ' ' MET . 69.1 t -66.35 -47.14 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.624 . . . . 1.14 110.444 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.12 -46.03 75.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.877 -0.601 . . . . 1.79 111.053 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.76 78.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.405 -0.361 . . . . 1.38 111.519 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.512 ' HB3' HG12 ' B' ' 9' ' ' VAL . . . -63.94 -31.56 72.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.459 -0.337 . . . . 1.14 111.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.503 ' HE1' HG11 ' B' ' 38' ' ' VAL . 54.6 mtt -57.87 -31.49 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 1.14 110.361 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.37 -34.08 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 1.26 110.947 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -63.14 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.358 0.599 . . . . 1.55 110.481 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.745 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -91.28 2.98 55.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.52 -0.764 . . . . 1.58 111.209 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.479 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.2 p-10 46.65 48.9 14.23 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.15 0.976 . . . . 1.87 109.326 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -49.97 118.44 2.9 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.929 -1.487 . . . . 2.23 113.423 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.524 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 29.0 mt -120.25 94.89 48.96 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 107.472 -1.307 . . . . 1.97 107.472 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -35.84 127.07 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.419 3.413 . . . . 0.95 114.753 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -52.76 99.54 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-N 115.51 -0.768 . . . . 1.64 110.591 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.89 -40.5 84.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.7 0.259 . . . . 5.46 111.7 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 64.0 m -77.07 -53.34 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.751 0.649 . . . . 0.92 112.751 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.494 ' HB2' " O4'" ' C' ' 13' ' ' ' DG' . . . -69.7 -39.09 77.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.62 0.97 . . . . 1.22 113.62 -178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.868 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 29.6 mt-30 -69.96 -47.27 62.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.947 0.351 . . . . 1.49 111.947 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.29 -38.0 76.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.492 0.663 . . . . 3.16 109.629 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.917 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.6 tp -66.46 -70.54 0.24 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.668 -1.151 . . . . 1.2 110.569 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.874 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -50.93 -48.61 60.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.12 113.341 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.25 67.47 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 119.805 -1.188 . . . . 2.13 113.196 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.868 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 20.1 pttp -73.46 -10.82 60.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.147 0.499 . . . . 5.3 110.697 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -75.72 -7.96 55.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.687 -0.688 . . . . 8.03 110.935 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.3 m -77.59 97.62 5.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 7.32 110.617 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.435 -0.793 . . . . 8.36 110.456 -179.601 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.42 ' C6 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C1'-C2' 107.147 0.951 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 ' C6 ' ' C6 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 C4'-C3'-C2' 102.304 -0.896 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.709 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C1'-C2' 107.184 0.986 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.709 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 N19-C1'-C2' 115.712 0.945 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.584 " H1'" " O5'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.977 0 C2'-C3'-O3' 115.903 1.964 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.584 " O5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 P-O3'-C3' 121.052 1.127 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.469 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.505 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.015 0.832 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.505 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.639 1.049 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.453 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.179 0.981 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.48 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C5'-C4'-C3' 115.985 0.857 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.605 " H1'" " H5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.447 1.209 0 C2'-C3'-O3' 115.62 1.859 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.874 ' H22' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-N19 109.321 1.901 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.865 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.341 0 C5'-C4'-C3' 118.465 2.51 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.665 ' OP2' ' HB3' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 P-O3'-C3' 121.305 1.337 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.476 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.519 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-N19 108.674 1.093 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.519 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.068 0.88 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.425 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C4'-C3'-C2' 102.31 -0.89 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.569 ' C6 ' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.324 -0.876 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.569 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 102.388 -0.812 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.459 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 N19-C1'-C2' 115.885 1.053 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.522 0 O4'-C1'-C2' 106.956 0.779 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 102.28 -0.92 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.623 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 O4'-C1'-C2' 107.134 0.94 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.623 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 N19-C1'-C2' 116.495 1.434 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.663 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 116.27 1.294 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.593 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.692 1.115 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.593 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.372 -0.828 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.405 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.013 0.83 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.527 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C2'-C3'-O3' 113.999 1.259 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.527 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 P-O3'-C3' 120.665 0.804 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.765 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.801 0 C4'-C3'-O3' 113.391 1.405 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.917 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 N19-C1'-C2' 116.587 1.492 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.601 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-N19 109.887 2.609 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.514 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C4'-C3'-C2' 102.222 -0.978 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.514 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 102.235 -0.965 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.498 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.208 -0.992 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.498 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.411 " H5'" " H1'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C4'-C3'-C2' 102.329 -0.871 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.483 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.03 0.846 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.54 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.1 0.909 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.54 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 102.369 -0.831 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.407 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 115.593 0.87 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ttt . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 121.026 0.441 . . . . 6.78 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 53.66 71.74 1.31 Allowed Pre-proline 0 N--CA 1.465 0.303 0 CA-C-N 115.646 -0.706 . . . . 5.1 111.038 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -55.83 121.21 9.57 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.95 2.434 . . . . 1.67 113.038 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.833 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 88.0 t -74.72 144.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.442 -0.799 . . . . 1.27 109.222 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.74 165.91 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.735 0.302 . . . . 1.07 110.641 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.566 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -63.66 -18.08 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.991 -0.55 . . . . 1.11 110.987 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.99 -34.78 62.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.526 . . . . 1.04 109.578 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -69.91 -38.79 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 1.75 109.553 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.03 -46.77 78.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.497 -0.774 . . . . 1.07 110.053 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.93 87.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.744 -0.662 . . . . 1.08 110.727 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.23 -38.67 82.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.807 -0.633 . . . . 2.21 111.111 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.427 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 26.8 t80 -73.86 -35.62 64.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 2.38 111.261 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -84.74 -18.46 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 1.05 111.549 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.14 27.7 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.069 -0.812 . . . . 0.52 111.069 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -124.63 -166.52 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.098 -0.551 . . . . 1.12 109.932 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB2' ' C7 ' ' C' ' 7' ' ' ' DT' . 54.6 p -106.1 154.48 20.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.582 -0.525 . . . . 1.37 109.582 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.6 p90 -60.41 -28.82 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.306 0.574 . . . . 2.19 110.08 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -68.09 -36.2 79.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.519 -0.764 . . . . 1.64 109.347 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.4 m -67.1 -43.46 82.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.892 -0.595 . . . . 1.14 109.622 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.9 t -57.57 -51.15 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 1.02 110.853 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 m -61.29 -29.7 70.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.823 0.344 . . . . 0.88 111.422 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 68.3 mtt180 -70.72 -23.9 62.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 2.6 110.882 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 30' ' ' VAL . 66.0 t -90.63 -46.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.188 0.518 . . . . 1.18 110.497 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 20' ' ' VAL . 56.4 t -60.84 -49.82 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.138 -0.937 . . . . 1.08 111.925 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -96.93 0.13 48.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.574 0.583 . . . . 1.72 112.574 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 57.79 76.13 0.34 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.229 0.538 . . . . 5.44 110.548 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.41 25.04 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 2.79 111.317 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' HG21 ' A' ' 30' ' ' VAL . 2.3 t 59.26 -166.09 0.18 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.744 -0.662 . . . . 1.87 111.091 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.812 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.6 m170 61.01 27.75 17.6 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.129 0.418 . . . . 0.77 112.129 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 23' ' ' VAL . 3.2 t -132.98 140.55 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 1.66 110.586 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -100.73 169.09 9.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.3 109.689 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -62.67 -36.78 84.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.852 0.358 . . . . 1.73 111.09 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -56.57 -50.03 73.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 3.81 111.706 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.564 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -78.6 -32.53 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 1.21 112.382 -178.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.572 ' HG3' HG12 ' A' ' 23' ' ' VAL . 43.7 ttp180 -63.78 -45.98 87.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 3.82 111.167 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 89.4 mt-10 -67.42 -26.01 66.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.745 0.646 . . . . 1.45 112.745 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.5 ptpt -85.08 -29.39 24.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.479 -0.488 . . . . 1.59 110.379 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 34' ' ' THR . 53.7 t -72.85 -45.09 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.75 -0.463 . . . . 1.07 109.75 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 42.4 mt-10 -68.07 -23.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 1.59 109.834 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.77 -43.19 22.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.646 -0.706 . . . . 1.17 110.195 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -67.78 -38.12 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 1.08 111.141 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.721 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.3 ptp -72.42 -11.1 60.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.933 0.397 . . . . 1.11 110.808 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.68 -26.56 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 1.23 109.937 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.0 mm-40 -71.27 -63.38 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.74 0.781 . . . . 1.36 110.66 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -74.8 -10.88 59.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.523 -1.217 . . . . 2.46 111.772 -178.243 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 67.0 65.92 0.43 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.605 0.717 . . . . 2.45 109.652 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.833 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.7 t80 -73.49 134.31 43.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.83 -1.077 . . . . 2.01 111.532 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -115.63 104.95 52.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.642 . . . . 1.83 110.188 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -58.23 130.98 40.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.759 2.306 . . . . 0.65 111.498 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.32 113.83 26.21 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.296 0.48 . . . . 0.54 112.296 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -21.58 52.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.648 -0.705 . . . . 5.89 109.57 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -56.63 4.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.5 -0.556 . . . . 0.83 109.5 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -58.18 -28.62 64.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.477 -0.783 . . . . 1.18 110.213 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -38.73 90.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 1.41 109.665 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 92.1 mt-30 -72.16 -33.34 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 2.53 110.837 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD23 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.7 tp -77.22 -49.86 14.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 1.27 111.125 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB1' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.24 111.948 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.67 6.33 80.87 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.505 -0.855 . . . . 1.14 112.66 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 3.0 tppp? -92.44 82.22 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.154 0.502 . . . . 6.76 111.086 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -93.38 30.57 1.68 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.099 -0.501 . . . . 7.2 110.236 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -95.88 102.94 14.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.617 -0.719 . . . . 7.21 109.895 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.41 -0.805 . . . . 10.03 110.28 -179.541 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.545 ' HG3' ' HG2' ' B' ' 2' ' ' LYS . 24.8 ptt? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.447 0.165 . . . . 7.98 111.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.545 ' HG2' ' HG3' ' B' ' 1' ' ' MET . 13.2 pttp -160.36 114.07 1.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.13 0.491 . . . . 5.32 110.778 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -72.52 151.28 52.86 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.611 2.207 . . . . 1.82 111.357 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.822 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 86.9 t -102.03 137.07 31.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.702 -0.481 . . . . 1.33 109.702 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.556 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 7.0 p -90.77 163.07 14.6 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.257 -0.429 . . . . 1.12 110.628 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.813 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -76.99 -7.02 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.588 -1.264 . . . . 1.37 107.588 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.76 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 27.1 m-85 -80.18 -42.03 24.15 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.864 -1.516 . . . . 2.18 109.263 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.17 -36.86 85.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.448 -0.797 . . . . 1.31 109.96 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD22 ' B' ' 45' ' ' LEU . 60.1 t -61.45 -43.15 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.26 -0.882 . . . . 1.05 110.248 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -66.62 -42.67 86.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.419 -0.809 . . . . 1.07 111.787 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.777 -0.647 . . . . 2.34 111.124 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' B' ' 44' ' ' GLU . 67.6 t80 -72.22 -42.88 65.21 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 2.46 111.139 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.74 -18.92 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 1.18 112.564 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.58 27.7 60.73 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.963 -0.636 . . . . 0.61 111.982 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.455 HG12 HG21 ' B' ' 34' ' ' THR . 35.5 m -125.25 175.47 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 122.752 0.421 . . . . 1.11 109.923 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.3 p -75.22 154.72 37.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.412 -0.958 . . . . 0.78 108.412 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.635 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -61.54 -22.11 64.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.497 . . . . 2.39 110.743 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' B' ' 21' ' ' SER . 4.2 tt0 -81.33 -17.26 49.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.189 -0.46 . . . . 1.4 111.024 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.88 -31.23 71.69 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.987 -1.116 . . . . 1.15 107.987 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.462 HG11 ' CG1' ' B' ' 38' ' ' VAL . 15.7 t -73.99 -39.18 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.256 -1.338 . . . . 1.1 108.792 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 31.3 t -53.21 -33.0 50.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.205 -0.907 . . . . 1.34 111.056 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 22' ' ' ARG . 33.6 mmt180 -63.66 -56.26 17.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 3.18 110.604 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.75 -27.93 41.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.012 -0.54 . . . . 1.18 111.28 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -73.49 -33.42 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 1.35 111.03 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -80.24 -78.66 0.16 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.247 0.546 . . . . 1.68 111.75 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -162.03 50.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.439 -0.801 . . . . 4.55 109.719 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.09 -126.58 1.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 2.15 110.126 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.0 p 63.52 128.32 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.897 0.879 . . . . 2.51 112.576 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.01 33.95 23.73 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.282 -0.872 . . . . 1.63 112.03 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.68 97.54 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 120.716 0.293 . . . . 1.84 110.265 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.45 152.88 28.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.906 -0.588 . . . . 1.42 110.013 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.55 -48.97 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.49 0.552 . . . . 1.59 112.49 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.566 ' HG3' ' HE2' ' B' ' 37' ' ' LYS . 4.4 tppp? -54.51 -55.12 32.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 3.76 112.022 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.455 HG21 HG12 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.4 -41.1 85.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.279 0.474 . . . . 1.34 112.279 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -61.25 -44.17 97.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 3.81 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -64.29 -33.59 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 2.09 110.818 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.566 ' HE2' ' HG3' ' B' ' 33' ' ' LYS . 67.9 mttm -63.5 -45.5 90.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.253 0.549 . . . . 2.16 109.559 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.524 HG11 ' HE1' ' B' ' 42' ' ' MET . 66.9 t -66.08 -49.62 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 1.14 111.239 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.26 -38.02 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.357 -0.383 . . . . 1.79 110.994 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.25 84.4 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.923 -0.399 . . . . 1.38 109.923 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.49 79.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.78 -0.645 . . . . 1.14 110.568 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.524 ' HE1' HG11 ' B' ' 38' ' ' VAL . 56.5 mtt -60.0 -23.56 63.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 1.14 110.219 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.43 -35.1 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 1.26 111.174 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' B' ' 12' ' ' TYR . 23.7 mm-40 -65.42 -51.33 61.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 1.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -82.86 -14.06 54.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.723 -0.671 . . . . 1.58 109.881 179.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.487 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.5 t30 61.29 63.07 1.26 Allowed 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.573 -1.269 . . . . 1.87 107.573 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.528 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -49.36 113.34 0.79 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.099 -1.41 . . . . 2.23 113.221 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.822 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 34.7 mt -121.44 90.53 47.84 Favored Pre-proline 0 N--CA 1.449 -0.494 0 N-CA-C 107.285 -1.376 . . . . 1.97 107.285 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -36.6 125.23 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 124.169 3.246 . . . . 0.95 113.814 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.2 m120 -47.37 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.347 1.029 . . . . 1.64 110.204 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.499 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 9.8 tpt180 -58.05 -24.71 59.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.763 0.316 . . . . 5.46 111.705 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.56 -64.27 1.18 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.948 0.404 . . . . 0.92 111.182 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.456 ' HB3' " O4'" ' C' ' 13' ' ' ' DG' . . . -61.32 -36.56 80.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.575 0.583 . . . . 1.22 112.575 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.977 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 13.5 mm-40 -74.11 -34.32 63.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.948 -0.301 . . . . 1.49 111.25 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.74 -40.17 88.22 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.771 -0.826 . . . . 3.16 108.771 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.949 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -66.44 -64.77 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.622 -1.172 . . . . 1.2 110.524 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.653 ' HB3' ' H22' ' C' ' 13' ' ' ' DG' . . . -59.44 -42.47 91.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.231 0.826 . . . . 1.12 113.231 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.39 77.01 0.52 Allowed Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.736 -0.745 . . . . 2.13 112.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.977 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 3.7 ptmt -67.99 153.93 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.512 0.673 . . . . 5.3 112.217 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -149.54 112.43 4.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.263 -0.88 . . . . 8.03 109.876 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 30.9 m -122.42 162.56 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.61 -0.268 . . . . 7.32 110.808 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.515 -0.755 . . . . 8.36 110.023 179.364 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.494 0 O4'-C1'-C2' 107.142 0.948 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.441 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.73 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-O3' 108.01 -1.041 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.73 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.15 0.954 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.812 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 N19-C1'-C2' 116.242 1.276 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.526 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-N19 108.542 0.927 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.505 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C4'-C3'-C2' 102.381 -0.819 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.497 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 107.068 0.88 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.518 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-N19 108.828 1.284 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.518 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-N19 108.7 1.126 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.462 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.89 0.719 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.633 " H1'" " C5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.447 1.239 0 C2'-C3'-O3' 115.174 1.694 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.76 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 110.338 3.173 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.813 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.432 0 C5'-C4'-C3' 118.365 2.443 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.432 " H5'" " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 107.062 0.875 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 107.27 1.064 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.508 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.008 0.826 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C5'-C4'-C3' 116.012 0.875 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.501 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C4'-C3'-C2' 102.313 -0.887 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.501 ' H71' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C4'-C3'-C2' 102.415 -0.785 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C4'-C3'-C2' 102.409 -0.791 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.425 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 115.786 0.991 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.294 -0.906 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.378 -0.822 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.553 ' C8 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.211 1.01 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.553 ' H73' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 N19-C1'-C2' 116.179 1.237 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.466 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.631 0 N19-C1'-C2' 116.621 1.513 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.567 " C2'" ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C4'-C3'-C2' 102.355 -0.845 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.567 ' H73' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 106.975 0.795 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C4'-C3'-C2' 102.353 -0.847 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C5'-C4'-C3' 115.972 0.848 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.508 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.085 0.895 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.503 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O4'-C1'-C2' 107.142 0.947 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.792 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-O3' 113.494 1.452 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.949 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 109.12 1.65 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.581 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 110.024 2.78 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.43 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.035 0 O4'-C1'-N19 108.538 0.922 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.442 " H1'" " H5'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.294 -0.906 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.442 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.967 0.788 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.441 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.428 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.271 -0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.512 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 102.383 -0.817 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.512 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.097 0.907 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.46 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.429 -0.771 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.968 0.789 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.723 0.297 . . . . 6.78 110.525 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -76.0 149.52 82.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 5.1 110.112 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.77 111.11 1.43 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.443 2.095 . . . . 1.67 112.377 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.757 HG13 ' HG ' ' A' ' 45' ' ' LEU . 79.7 t -94.83 136.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.72 . . . . 1.27 109.415 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 170.23 8.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.185 -0.461 . . . . 1.07 111.341 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -66.82 -16.6 64.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.404 . . . . 1.11 110.555 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -74.55 -39.68 62.15 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.864 -0.607 . . . . 1.04 109.603 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.05 -38.08 85.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.392 -0.822 . . . . 1.75 110.201 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.489 ' HA ' HD13 ' A' ' 45' ' ' LEU . 40.6 t -68.14 -40.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.743 -0.662 . . . . 1.07 109.744 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.85 81.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.16 -0.927 . . . . 1.08 110.521 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.72 -29.0 63.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 2.21 111.097 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.578 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 4.0 t80 -76.58 -39.32 52.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 2.38 110.701 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -85.98 -19.11 30.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.942 0.401 . . . . 1.05 111.491 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.58 11.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.681 -0.968 . . . . 0.52 110.681 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 34' ' ' THR . 26.8 m -132.37 -166.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.264 -0.468 . . . . 1.12 110.031 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.44 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 41.8 p -100.55 158.61 15.79 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.1 -0.704 . . . . 1.37 109.1 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 38.0 p90 -66.05 -27.76 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.594 -0.521 . . . . 2.19 109.594 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.44 -35.34 79.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.877 -0.786 . . . . 1.64 108.877 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 23' ' ' VAL . 63.2 m -65.81 -44.24 86.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.139 -0.689 . . . . 1.14 109.139 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 24' ' ' VAL . 74.1 t -58.64 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.462 -0.79 . . . . 1.02 110.082 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -62.68 -31.82 72.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.88 110.803 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.708 ' HG3' HG21 ' A' ' 30' ' ' VAL . 6.6 tpp180 -64.02 -36.15 83.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.584 . . . . 2.6 110.021 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 19' ' ' THR . 54.8 t -80.34 -46.45 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.615 -0.72 . . . . 1.18 111.197 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 20' ' ' VAL . 61.6 t -58.86 -41.29 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 1.08 111.744 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -78.95 -20.36 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.326 0.491 . . . . 1.72 112.326 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 61.59 42.89 10.57 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.319 0.581 . . . . 5.44 110.269 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.9 -144.19 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 2.79 111.497 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 0.7 OUTLIER -95.26 174.12 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.397 -0.365 . . . . 1.87 110.237 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.497 ' HA ' ' OP2' ' C' ' 4' ' ' ' DT' . 0.2 OUTLIER 61.21 36.46 17.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.425 0.69 . . . . 0.77 111.745 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.708 HG21 ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -118.58 110.97 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.53 -0.468 . . . . 1.66 110.944 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 87.2 p -82.35 159.83 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 1.3 110.212 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.27 66.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 1.73 111.373 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -62.91 -56.16 19.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 3.81 111.293 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.779 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -73.91 -29.73 62.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.95 -0.568 . . . . 1.21 112.056 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.0 ttt180 -58.47 -36.74 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.157 0.503 . . . . 3.82 111.079 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.65 -35.51 22.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.597 . . . . 1.45 112.493 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.779 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.7 ptpt -75.43 -32.01 60.55 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.871 -0.332 . . . . 1.59 111.675 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.416 HG11 HG23 ' A' ' 20' ' ' VAL . 77.1 t -74.11 -44.55 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 1.07 110.338 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 1.3 mt-10 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 1.59 110.441 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.99 -32.27 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.521 . . . . 1.17 110.757 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.61 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -75.91 -42.73 48.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.953 -0.567 . . . . 1.08 111.027 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.611 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -65.51 -12.82 56.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 1.11 111.673 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.36 23.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.419 . . . . 1.23 110.677 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.51 -58.76 2.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.867 -0.606 . . . . 1.36 111.694 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.757 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -80.8 -2.38 46.94 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.853 -0.612 . . . . 2.46 112.604 -178.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' HD23 ' A' ' 45' ' ' LEU . 57.2 m-20 66.02 69.48 0.44 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.214 0.531 . . . . 2.45 111.098 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.647 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.1 t80 -65.92 133.76 51.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.229 -0.896 . . . . 2.01 111.015 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.72 100.42 38.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 1.83 110.96 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.24 130.55 22.88 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.558 2.172 . . . . 0.65 110.414 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -106.91 113.72 27.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.37 . . . . 0.54 111.997 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 7.6 ppt_? -78.17 -22.72 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 5.89 109.823 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.554 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 1.1 m -69.82 -43.23 72.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.463 -0.569 . . . . 0.83 109.463 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.41 -30.06 67.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.02 -0.991 . . . . 1.18 109.602 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -68.02 -42.46 80.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 1.41 109.741 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.7 mt-30 -65.94 -32.66 74.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 2.53 109.94 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD11 " O4'" ' C' ' 12' ' ' ' DG' . 11.6 tp -75.33 -52.91 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 1.27 110.718 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB2' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 1.24 111.278 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.64 6.48 83.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.095 -0.574 . . . . 1.14 111.808 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HD2' " H4'" ' C' ' 11' ' ' ' DC' . 10.7 ptmt 34.22 -104.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.916 1.286 . . . . 6.76 113.398 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 59' ' ' LYS . 28.2 mp0 -110.45 158.88 18.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 7.2 111.102 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m 66.67 -95.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.554 -0.748 . . . . 7.21 111.321 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.011 -0.995 . . . . 10.03 109.68 -179.73 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.372 -0.233 . . . . 7.98 110.372 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.77 76.6 0.43 Allowed Pre-proline 0 C--O 1.233 0.199 0 O-C-N 123.704 0.628 . . . . 5.32 111.349 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.85 65.14 4.03 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.715 2.277 . . . . 1.82 111.205 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.727 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.5 t -66.12 134.28 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.26 -0.882 . . . . 1.33 111.39 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.606 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 32.1 p -100.49 -176.66 3.27 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.643 -0.708 . . . . 1.12 110.46 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.82 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -81.1 -9.01 59.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.801 -1.185 . . . . 1.37 107.801 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.75 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.9 m-85 -81.32 -35.3 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 113.8 -1.546 . . . . 2.18 109.933 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.594 ' HB2' HG11 ' B' ' 4' ' ' VAL . 14.5 m-20 -70.9 -39.68 72.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.618 -0.719 . . . . 1.31 111.103 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.459 HG13 ' HB3' ' B' ' 41' ' ' ALA . 44.6 t -57.91 -38.37 65.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.369 0.604 . . . . 1.05 110.365 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -44.51 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.214 -0.903 . . . . 1.07 111.223 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -56.9 -47.29 80.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.84 . . . . 2.34 111.818 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.513 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.1 t80 -69.86 -42.12 73.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 2.46 111.764 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.2 -21.04 63.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.379 -0.373 . . . . 1.18 111.247 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.59 22.9 52.47 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.822 -0.704 . . . . 0.61 112.224 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.02 174.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.579 -0.526 . . . . 1.11 109.579 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.6 p -78.43 153.43 31.49 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.691 -0.855 . . . . 0.78 108.691 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' HA ' ' HB1' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -58.66 -28.53 65.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.195 0.521 . . . . 2.39 109.758 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.84 -30.03 70.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.536 -0.756 . . . . 1.4 110.429 179.405 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.532 ' O ' HG23 ' B' ' 23' ' ' VAL . 18.7 m -61.9 -40.08 94.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.04 -0.726 . . . . 1.15 109.04 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.527 HG21 ' HB1' ' B' ' 10' ' ' ALA . 13.9 t -69.46 -45.66 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.317 -0.856 . . . . 1.1 109.115 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.63 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 33.2 m -54.56 -33.87 60.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.137 0.494 . . . . 1.34 110.788 177.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 4.8 mtt85 -79.76 -42.57 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 3.18 111.238 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 19' ' ' THR . 60.5 t -58.3 -33.43 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 1.18 110.517 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 20' ' ' VAL . 43.1 t -85.42 -32.35 7.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 1.35 112.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' HE2' ' B' ' 59' ' ' LYS . 33.3 m-80 -122.51 -68.73 0.87 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.457 0.91 . . . . 1.68 113.457 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -83.5 78.7 9.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.395 . . . . 4.55 111.376 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.27 -23.76 38.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 2.15 112.138 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 m -69.68 154.03 42.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.565 -0.288 . . . . 2.51 110.255 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.438 ' HA ' ' OP2' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.37 33.57 20.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.921 0.488 . . . . 1.63 110.514 -178.098 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.425 HG12 HG21 ' B' ' 23' ' ' VAL . 47.0 t -135.7 111.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.963 0.411 . . . . 1.84 110.719 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.81 152.68 44.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.674 -0.694 . . . . 1.42 110.582 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.42 73.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.495 -0.32 . . . . 1.59 111.559 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.17 -54.0 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.533 -0.303 . . . . 3.76 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -67.62 -34.83 77.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.61 0.243 . . . . 1.34 111.445 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.472 ' HG3' HG11 ' B' ' 23' ' ' VAL . 49.3 ttp180 -63.02 -51.53 66.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.065 0.459 . . . . 3.81 110.287 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -68.41 -32.37 72.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.587 -0.733 . . . . 2.09 111.317 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.455 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 23.4 ttmm -64.55 -43.12 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 2.16 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.516 ' CG1' HG11 ' B' ' 20' ' ' VAL . 46.1 t -66.46 -47.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 1.14 110.649 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.89 -34.58 76.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 1.79 111.089 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.8 60.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.96 0.409 . . . . 1.38 110.548 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.459 ' HB3' HG13 ' B' ' 9' ' ' VAL . . . -63.46 -28.83 70.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.946 -0.57 . . . . 1.14 111.119 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 68.7 mtt -59.06 -28.33 66.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 1.14 110.366 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.74 -14.85 36.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 1.26 111.673 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.8 -47.22 8.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.03 0.443 . . . . 1.55 110.495 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.555 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -79.12 -24.51 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.626 . . . . 1.58 111.029 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 42.5 t30 76.78 57.32 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 106.812 -1.551 . . . . 1.87 106.812 -176.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.727 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -56.62 114.83 2.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.097 -1.411 . . . . 2.23 112.548 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -113.01 94.17 28.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 107.742 -1.207 . . . . 1.97 107.742 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -33.52 118.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.205 3.27 . . . . 0.95 114.341 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.462 ' ND2' H5'' ' C' ' 13' ' ' ' DG' . 17.1 t-20 -73.68 64.76 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.574 -0.739 . . . . 1.64 109.374 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 51' ' ' ARG . 13.5 mtm180 -50.7 -33.01 21.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.811 -1.086 . . . . 5.46 112.979 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 86.3 m -58.37 -53.73 54.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.957 0.408 . . . . 0.92 110.86 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.539 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -81.8 -25.19 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.869 -0.605 . . . . 1.22 111.318 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 80.3 mt-30 -71.47 -54.52 10.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.488 -0.324 . . . . 1.49 111.419 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.53 -35.51 70.39 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.983 -0.747 . . . . 3.16 108.983 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.956 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.7 tp -64.22 -69.64 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.319 -1.309 . . . . 1.2 111.002 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.767 ' HB2' ' H22' ' C' ' 13' ' ' ' DG' . . . -48.39 -44.55 34.89 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 124.37 1.044 . . . . 1.12 113.339 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.18 27.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 119.469 -1.348 . . . . 2.13 113.801 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.522 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 25.5 tptp -103.16 110.41 22.35 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.358 -0.608 . . . . 5.3 109.358 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.99 138.06 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.699 -0.682 . . . . 8.03 111.078 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.61 -27.24 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.709 -0.678 . . . . 7.32 110.124 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.649 -0.691 . . . . 8.36 109.525 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 O4'-C1'-C2' 107.005 0.823 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.478 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 102.294 -0.906 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.66 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.53 0.667 0 O4'-C1'-C2' 107.176 0.979 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.66 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 N19-C1'-C2' 115.986 1.117 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.539 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 N19-C1'-C2' 115.865 1.041 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.444 ' C8 ' ' H72' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C4'-C3'-C2' 102.408 -0.792 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.287 -0.913 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.451 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C4'-C3'-C2' 102.252 -0.948 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.453 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.02 0.836 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.453 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.583 " H4'" ' HD2' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.445 -0.755 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.622 " O4'" HD11 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.113 0 C2'-C3'-O3' 115.786 1.921 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.767 ' H22' ' HB2' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C1'-N19 109.346 1.933 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.82 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.189 0 C5'-C4'-C3' 118.35 2.433 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.63 ' OP2' ' HB3' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.432 -0.512 0 P-O3'-C3' 121.082 1.152 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.498 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C4'-C3'-C2' 102.191 -1.009 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.487 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 107.205 1.005 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 104.865 -0.735 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.434 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.496 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C4'-C3'-C2' 102.391 -0.809 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.505 " H1'" " H5'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 102.355 -0.845 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.505 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 115.532 0.832 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 N19-C1'-C2' 115.701 0.938 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 O5'-C5'-C4' 111.417 0.869 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C4'-C3'-C2' 102.165 -1.035 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.641 ' C8 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 106.982 0.802 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.641 ' H71' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 N19-C1'-C2' 116.093 1.183 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.52 " H1'" " H5'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 N19-C1'-C2' 116.421 1.388 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.588 " C2'" ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.602 1.003 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.588 ' H73' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.421 ' OP2' H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.583 0 O4'-C1'-C2' 107.149 0.953 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.492 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C2'-C3'-O3' 113.642 1.127 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.492 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.028 0.844 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.803 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-O3' 112.79 1.132 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.956 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 N19-C1'-C2' 116.633 1.52 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.646 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.409 2.011 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.575 " H5'" ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 O4'-C1'-N19 108.582 0.977 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.462 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 102.208 -0.992 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.515 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.515 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.427 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C4'-C3'-C2' 102.231 -0.969 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.549 ' C8 ' ' H73' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-N19 108.549 0.936 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.549 ' H73' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 106.948 0.771 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.454 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.434 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 mtt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.167 -0.308 . . . . 6.78 110.167 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -118.89 126.05 27.34 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.492 -0.322 . . . . 5.1 110.411 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -69.77 107.31 1.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.394 2.062 . . . . 1.67 111.681 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.807 HG13 ' HG ' ' A' ' 45' ' ' LEU . 39.6 t -66.98 135.01 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.518 -0.764 . . . . 1.27 109.244 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.91 164.51 11.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.123 -0.49 . . . . 1.07 111.229 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.785 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -64.14 -16.74 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.622 -0.717 . . . . 1.11 110.761 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.06 -33.59 59.58 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.212 -0.662 . . . . 1.04 109.212 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.46 -39.92 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.753 . . . . 1.75 109.625 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.29 -40.1 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 1.07 109.707 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.72 84.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.451 -0.795 . . . . 1.08 110.2 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -73.78 -28.61 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.436 -0.802 . . . . 2.21 110.493 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.544 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t80 -79.6 -38.23 34.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.797 -0.638 . . . . 2.38 111.297 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.58 -14.84 36.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.479 -0.328 . . . . 1.05 111.437 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.09 39.92 22.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.52 111.252 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.23 -170.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.705 -0.479 . . . . 1.12 109.705 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -97.59 156.54 16.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.774 -0.454 . . . . 1.37 109.774 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.0 p90 -58.27 -35.7 72.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.484 -0.325 . . . . 2.19 110.81 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 14.3 tp60 -64.63 -33.56 76.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.384 -0.599 . . . . 1.64 109.384 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 23' ' ' VAL . 5.6 m -68.0 -43.29 79.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.683 -0.689 . . . . 1.14 109.35 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' O ' HG22 ' A' ' 24' ' ' VAL . 69.0 t -60.03 -53.87 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.171 -0.922 . . . . 1.02 110.048 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -61.51 -30.35 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.88 110.44 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.978 ' HG3' HG21 ' A' ' 30' ' ' VAL . 11.0 tpp180 -62.54 -38.06 88.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.103 -0.703 . . . . 2.6 109.103 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG11 ' HG3' ' A' ' 35' ' ' ARG . 71.1 t -80.76 -40.75 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.036 -0.984 . . . . 1.18 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 20' ' ' VAL . 91.1 t -59.26 -43.02 88.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.171 -0.468 . . . . 1.08 111.047 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -73.49 -27.88 61.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.418 -0.356 . . . . 1.72 111.211 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 60.28 41.71 16.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.481 0.657 . . . . 5.44 109.712 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.79 -144.49 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.161 -0.927 . . . . 2.79 111.224 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.4 m -83.94 171.86 12.62 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.677 0.275 . . . . 1.87 111.547 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.515 ' HA ' ' OP2' ' C' ' 4' ' ' ' DT' . 1.2 m170 62.38 33.06 16.61 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.585 0.754 . . . . 0.77 112.39 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.978 HG21 ' HG3' ' A' ' 22' ' ' ARG . 2.1 t -120.3 117.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.351 -0.54 . . . . 1.66 111.42 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.565 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 55.0 p -87.84 150.75 23.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.072 -0.714 . . . . 1.3 109.072 178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.02 68.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.724 0.297 . . . . 1.73 110.992 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.92 -52.39 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 3.81 111.554 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.695 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.4 p -78.56 -29.34 46.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 1.21 111.395 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HG3' HG11 ' A' ' 23' ' ' VAL . 47.1 ttt-85 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.129 0.49 . . . . 3.82 110.815 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.64 -22.05 51.29 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.216 0.821 . . . . 1.45 113.216 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.695 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 13.4 ptpt -91.69 -27.18 18.25 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.284 -0.566 . . . . 1.59 110.899 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 20' ' ' VAL . 76.5 t -77.63 -45.26 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.848 0.356 . . . . 1.07 110.498 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 34.5 mt-10 -66.77 -25.1 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 1.59 110.397 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.5 -30.7 33.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.447 . . . . 1.17 110.612 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.585 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -77.11 -42.88 36.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.301 -0.409 . . . . 1.08 111.043 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.706 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.5 ptp -66.37 -11.8 53.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.059 -0.519 . . . . 1.11 111.496 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.06 -15.73 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.285 0.564 . . . . 1.23 110.424 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -85.51 -61.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.47 -0.786 . . . . 1.36 111.337 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.807 ' HG ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -77.8 3.57 13.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 2.46 112.457 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.93 62.51 1.43 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.301 0.572 . . . . 2.45 110.857 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.9 t80 -63.12 135.53 57.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.139 -0.937 . . . . 2.01 111.143 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.64 105.92 56.72 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.651 -0.704 . . . . 1.83 110.576 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.56 95.55 0.28 Allowed 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.463 2.109 . . . . 0.65 110.34 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' ND2' " H4'" ' D' ' 13' ' ' ' DG' . 64.3 m-80 -60.76 107.97 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.54 112.221 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -23.4 53.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.564 -0.744 . . . . 5.89 110.376 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.738 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -76.13 -39.04 56.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.575 . . . . 0.83 110.208 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -67.64 -31.75 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.868 -0.605 . . . . 1.18 109.38 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.74 -38.39 86.54 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.13 -0.941 . . . . 1.41 110.05 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 15.3 mm100 -67.25 -26.49 66.6 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.81 -0.632 . . . . 2.53 110.696 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD21 ' N3 ' ' C' ' 12' ' ' ' DG' . 11.4 tp -86.51 -51.49 6.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.258 -0.428 . . . . 1.27 111.016 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.0 71.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.407 0.623 . . . . 1.24 110.712 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.22 26.55 22.32 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.659 -0.701 . . . . 1.14 111.53 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 14.7 tptm -110.8 20.59 17.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.216 0.532 . . . . 6.76 110.673 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' HG2' " C4'" ' C' ' 11' ' ' ' DC' . 76.1 mt-30 -76.95 98.5 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 7.2 110.227 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -132.94 148.35 52.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 7.21 110.857 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.117 -0.944 . . . . 10.03 110.842 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.943 0.401 . . . . 7.98 110.295 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 17.7 ptpt -153.61 140.61 13.11 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 5.32 109.972 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 3.5 Cg_exo -76.43 77.9 3.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.808 2.339 . . . . 1.82 111.138 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.69 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 56.3 t -57.03 141.04 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.496 -0.775 . . . . 1.33 110.531 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.474 HG22 ' ND2' ' B' ' 50' ' ' ASN . 15.9 p -97.04 166.03 11.79 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.688 -0.687 . . . . 1.12 110.782 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.802 HD23 ' OP2' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -77.98 -7.72 57.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.865 -1.161 . . . . 1.37 107.865 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.683 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 15.7 m-85 -81.54 -39.51 24.55 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.972 -1.467 . . . . 2.18 110.056 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.04 -37.81 88.79 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.774 -0.648 . . . . 1.31 110.078 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.6 t -61.76 -42.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.441 -0.8 . . . . 1.05 110.559 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.568 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -66.12 -49.85 66.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.07 112.135 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 11.3 mm-40 -57.27 -43.28 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 2.34 111.691 -178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.423 ' CB ' HD22 ' B' ' 45' ' ' LEU . 50.8 t80 -69.16 -42.07 76.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 2.46 111.45 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.674 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -70.29 -25.09 63.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.488 -0.323 . . . . 1.18 111.849 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.95 12.04 59.52 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.027 -0.606 . . . . 0.61 112.171 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.45 HG23 ' HB2' ' B' ' 13' ' ' ALA . 30.6 m -109.11 170.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.553 0.216 . . . . 1.11 110.425 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.2 p -73.25 153.26 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.78 108.81 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.568 ' HA ' ' HB3' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.79 -25.91 67.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.118 0.485 . . . . 2.39 110.513 -179.633 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.452 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 11.0 mt-30 -73.82 -21.26 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 1.4 110.52 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -65.08 -36.26 83.75 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 107.796 -1.187 . . . . 1.15 107.796 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.491 HG12 ' CG1' ' B' ' 38' ' ' VAL . 9.6 t -72.55 -47.05 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 114.647 -1.16 . . . . 1.1 108.842 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.402 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 70.1 m -50.51 -41.99 54.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.836 -0.62 . . . . 1.34 111.139 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -68.9 -49.87 54.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.18 111.302 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.79 -39.55 80.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.099 0.476 . . . . 1.18 110.509 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.54 -37.4 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.159 -0.928 . . . . 1.35 111.146 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -77.84 -79.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.94 0.4 . . . . 1.68 111.745 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -152.79 43.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 4.55 111.162 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 -120.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 2.15 111.134 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m 67.68 133.62 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.655 0.597 . . . . 2.51 110.096 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.681 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 1.1 m170 67.83 -61.07 0.38 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.62 0.368 . . . . 1.63 110.534 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' OP2' ' D' ' 5' ' ' ' DT' . 4.2 t -54.89 113.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.42 . . . . 1.84 110.554 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.657 ' HG ' " H3'" ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER -72.89 168.33 19.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.577 -0.738 . . . . 1.42 111.117 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.11 -40.45 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.684 0.278 . . . . 1.59 111.699 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -59.86 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 3.76 111.179 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -28.69 55.36 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.505 -0.316 . . . . 1.34 111.278 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -63.89 -54.96 26.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.167 -0.469 . . . . 3.81 110.566 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.34 -22.25 65.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.511 . . . . 2.09 110.465 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.674 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.6 OUTLIER -66.69 -47.43 72.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.319 0.58 . . . . 2.16 109.768 178.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' B' ' 42' ' ' MET . 93.2 t -66.16 -46.21 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 1.14 110.779 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.25 -33.49 73.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.082 -0.508 . . . . 1.79 111.12 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.02 67.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.049 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.44 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -65.12 -32.09 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.895 -0.593 . . . . 1.14 110.608 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.569 ' HE3' HG13 ' B' ' 38' ' ' VAL . 63.7 mtt -58.07 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 1.14 110.261 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.72 21.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.987 -0.552 . . . . 1.26 111.112 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -51.9 63.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 1.55 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.5 OUTLIER -80.8 -12.32 59.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.184 -0.462 . . . . 1.58 110.546 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.421 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.9 t-20 62.37 56.1 2.19 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 107.274 -1.38 . . . . 1.87 107.274 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.632 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.4 t80 -52.6 106.78 0.17 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 114.137 -1.392 . . . . 2.23 113.307 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.69 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 mm -113.89 93.69 30.43 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 106.962 -1.495 . . . . 1.97 106.962 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.484 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.8 Cg_exo -30.4 115.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.546 3.498 . . . . 0.95 114.667 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.474 ' ND2' HG22 ' B' ' 5' ' ' THR . 6.0 p-10 -72.12 82.13 0.98 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.637 0.732 . . . . 1.64 110.198 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -51.36 -32.69 26.69 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.428 -1.26 . . . . 5.46 112.859 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 96.3 m -54.59 -49.41 70.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.92 111.938 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.511 ' HB2' " H4'" ' C' ' 13' ' ' ' DG' . . . -90.79 -26.79 19.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 1.22 111.425 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.484 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 78.2 mt-30 -71.62 -49.9 35.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.734 -0.212 . . . . 1.49 111.51 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -65.62 -31.66 72.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.327 -0.62 . . . . 3.16 109.327 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.886 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 11.3 tp -62.43 -63.96 1.07 Allowed 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 114.924 -1.035 . . . . 1.2 109.749 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.602 ' HB3' ' H22' ' C' ' 13' ' ' ' DG' . . . -60.05 -38.95 84.31 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.946 -1.024 . . . . 1.12 111.983 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.9 -82.72 0.24 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.373 -0.918 . . . . 2.13 113.756 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.598 ' HD2' H5'' ' C' ' 15' ' ' ' DT' . 28.6 mttm -78.45 137.63 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.569 0.699 . . . . 5.3 112.337 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.09 -9.84 12.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.271 -0.877 . . . . 8.03 108.856 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -164.91 -52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.917 -1.038 . . . . 7.32 109.631 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.729 -0.653 . . . . 8.36 109.784 179.383 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C4'-C3'-C2' 102.305 -0.895 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C4'-C3'-C2' 102.298 -0.902 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.696 ' C8 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.699 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.696 ' H73' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 116.149 1.218 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.566 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 N19-C1'-C2' 116.595 1.497 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.54 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.078 0.889 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C4'-C3'-C2' 102.262 -0.938 . . . . 1.2 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.498 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.283 -0.917 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.498 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.169 0.972 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.446 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.105 0.914 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.458 " C4'" ' HG2' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 102.3 -0.9 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.696 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.445 1.091 0 C2'-C3'-O3' 115.21 1.708 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.696 " O5'" " H1'" ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 109.21 1.762 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.802 ' OP2' HD23 ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.539 1.293 0 O4'-C1'-N19 106.176 -2.03 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.598 H5'' ' HD2' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C5'-C4'-C3' 116.163 0.975 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.474 ' N6 ' ' C4 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.207 1.006 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C4'-C3'-C2' 102.414 -0.786 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.51 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 107.057 0.87 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.603 0 O4'-C1'-C2' 107.115 0.922 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.468 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-C2' 106.916 0.742 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.519 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 C4'-C3'-C2' 102.317 -0.883 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.519 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 N19-C1'-C2' 115.548 0.843 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 N19-C1'-C2' 115.449 0.78 . . . . 2.58 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 C4'-C3'-C2' 102.335 -0.865 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.281 -0.919 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.666 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.116 0.924 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.666 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C4'-C3' 104.552 -1.048 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.681 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 116.111 0.941 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.577 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-N19 108.669 1.086 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.577 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C5'-C4'-C3' 116.085 0.923 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 106.994 0.813 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C5'-C4'-C3' 116.156 0.971 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.479 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.463 0.829 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.43 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.091 0.901 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.774 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-O3' 113.039 1.245 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.886 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 N19-C1'-C2' 116.154 1.221 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.596 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 109.504 2.13 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.436 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C4'-C3'-C2' 102.297 -0.903 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.436 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.358 -0.842 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.445 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.445 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 107.085 0.895 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.573 0 O4'-C1'-C2' 107.145 0.95 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.496 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.131 0.938 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.512 ' C6 ' ' H73' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 106.978 0.799 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.512 ' H73' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.038 0.853 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.428 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.123 0.93 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.462 0.172 . . . . 6.78 111.27 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.476 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -83.75 -58.19 0.4 Allowed Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 120.871 -0.332 . . . . 5.1 111.627 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 3.6 Cg_exo -76.12 98.95 1.23 Allowed 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.118 1.879 . . . . 1.67 111.965 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.738 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.7 t -69.63 136.65 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.299 -0.63 . . . . 1.27 109.299 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.499 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.9 OUTLIER -105.9 167.42 9.8 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.976 0.417 . . . . 1.07 111.239 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.75 -17.6 64.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 1.11 110.427 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -73.81 -39.48 64.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.495 -0.558 . . . . 1.04 109.495 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.84 -39.72 91.05 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.6 -0.727 . . . . 1.75 110.057 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.31 -40.97 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.391 -0.822 . . . . 1.07 109.726 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.23 95.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.058 -0.974 . . . . 1.08 110.977 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.8 -37.02 76.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 2.21 111.327 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -73.44 -36.15 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.927 0.394 . . . . 2.38 111.033 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -84.19 -25.52 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 1.05 111.059 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.98 32.24 15.11 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.94 -0.864 . . . . 0.52 110.94 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' A' ' 13' ' ' ALA . 33.1 m -122.92 -170.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.159 -0.521 . . . . 1.12 110.337 -178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -97.3 155.75 16.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.952 -0.759 . . . . 1.37 108.952 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.791 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -58.51 -33.4 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.79 -0.448 . . . . 2.19 109.79 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.0 tp60 -65.09 -38.48 90.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.787 -0.642 . . . . 1.64 109.569 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 1.14 109.716 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.5 t -57.14 -51.8 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 1.02 110.673 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 m -59.43 -32.57 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.647 -0.251 . . . . 0.88 111.314 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.691 ' HB3' HG23 ' A' ' 30' ' ' VAL . 90.6 mtt-85 -66.13 -31.06 71.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 2.6 110.476 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -82.94 -42.76 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 1.18 110.6 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.514 HG23 ' HE2' ' A' ' 47' ' ' TYR . 49.0 t -62.89 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 1.08 111.096 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -83.03 -11.7 57.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.439 . . . . 1.72 111.202 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.87 51.61 10.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.607 -0.724 . . . . 5.44 110.266 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.81 -155.32 0.44 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.227 -0.897 . . . . 2.79 111.084 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -97.64 177.98 5.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.409 -0.36 . . . . 1.87 110.629 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.722 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 5.8 m170 66.12 29.83 9.69 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.087 0.555 . . . . 0.77 112.151 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.691 HG23 ' HB3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -125.52 115.67 44.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.798 -0.361 . . . . 1.66 111.105 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 p -80.35 150.16 29.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.972 -0.558 . . . . 1.3 109.646 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -57.16 -35.15 69.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.761 0.315 . . . . 1.73 110.796 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -53.94 -46.14 71.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.647 -0.706 . . . . 3.81 111.212 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -83.14 -33.13 26.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.285 -0.416 . . . . 1.21 111.224 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -57.53 -45.94 84.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.908 0.385 . . . . 3.82 111.129 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.3 mt-10 -68.44 -34.38 75.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.668 -0.696 . . . . 1.45 112.742 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.3 ptpt -78.9 -29.56 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.398 -0.521 . . . . 1.59 110.982 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 20' ' ' VAL . 85.4 t -78.12 -40.41 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.883 0.373 . . . . 1.07 110.268 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.68 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 1.59 110.067 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -83.08 -38.79 22.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.411 -0.813 . . . . 1.17 110.821 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.43 89.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 1.08 111.837 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.658 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.0 ptp -69.81 -11.36 60.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.333 -0.394 . . . . 1.11 110.867 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.88 -22.01 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.285 0.564 . . . . 1.23 110.13 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 9.0 mm-40 -82.24 -49.98 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.311 -0.859 . . . . 1.36 110.365 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.0 mt -80.7 -7.36 59.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.754 -1.112 . . . . 2.46 111.56 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 m120 60.94 51.14 4.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.671 0.748 . . . . 2.45 109.97 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.738 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.0 t80 -65.84 132.08 47.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.78 -1.1 . . . . 2.01 111.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.57 112.44 51.3 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 1.83 110.451 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.05 114.15 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.436 2.091 . . . . 0.65 110.923 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.531 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 47.6 m-80 -73.86 100.77 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.379 -0.373 . . . . 0.54 111.707 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -21.16 64.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 5.89 110.766 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.752 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -76.25 -43.53 41.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.4 -0.593 . . . . 0.83 109.4 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' CB ' " H5'" ' D' ' 14' ' ' ' DC' . . . -70.12 -29.7 66.71 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.716 -0.675 . . . . 1.18 109.246 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 39.1 tt0 -66.06 -42.49 89.38 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.333 -0.849 . . . . 1.41 109.982 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.42 -39.53 92.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 2.53 109.674 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.699 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 9.9 tp -67.51 -54.05 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.67 -0.696 . . . . 1.27 110.987 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.1 -41.74 97.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 1.24 111.902 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.36 2.77 69.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.948 -0.644 . . . . 1.14 112.643 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp 56.78 40.04 29.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.436 0.636 . . . . 6.76 110.425 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -98.56 39.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.465 -0.788 . . . . 7.2 110.18 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 114.48 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.377 -0.829 . . . . 7.21 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.2 -0.905 . . . . 10.03 110.944 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttp . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.918 0.389 . . . . 7.98 110.123 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.716 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 28.7 mmmt -76.16 -54.75 1.94 Allowed Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 5.32 111.68 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 5.6 Cg_exo -79.07 97.1 1.1 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.336 2.024 . . . . 1.82 112.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 45' ' ' LEU . 59.1 t -93.41 134.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.884 -0.598 . . . . 1.33 109.679 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -95.86 173.16 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.258 -0.428 . . . . 1.12 109.862 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.798 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -82.47 -5.52 58.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.565 -1.272 . . . . 1.37 107.565 179.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.83 ' HE1' " H2'" ' C' ' 13' ' ' ' DG' . 5.8 m-85 -80.65 -38.68 28.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.884 -1.507 . . . . 2.18 109.084 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.54 -39.93 95.7 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.447 -0.797 . . . . 1.31 109.813 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.66 -40.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 1.05 111.022 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.478 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -62.73 -55.44 26.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.832 -0.622 . . . . 1.07 111.914 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.17 -46.87 84.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.588 -0.733 . . . . 2.34 111.731 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.57 -44.59 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.369 0.507 . . . . 2.46 112.369 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' B' ' 15' ' ' VAL . . . -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.805 0.336 . . . . 1.18 111.819 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.04 57.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.61 111.952 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' B' ' 13' ' ' ALA . 33.5 m -107.24 167.05 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.766 -0.457 . . . . 1.11 109.766 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 97.0 p -69.66 152.43 44.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.024 -0.732 . . . . 0.78 109.024 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' HE2' ' C8 ' ' C' ' 14' ' ' ' DA' . 69.5 t80 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.623 0.725 . . . . 2.39 110.137 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.459 ' HB2' ' H73' ' D' ' 7' ' ' ' DT' . 0.9 OUTLIER -62.24 -38.77 90.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.061 -0.972 . . . . 1.4 111.135 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.443 ' O ' HG21 ' B' ' 23' ' ' VAL . 24.2 m -56.88 -33.75 67.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.81 -0.632 . . . . 1.15 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.429 HG13 HD12 ' B' ' 6' ' ' LEU . 8.1 t -71.41 -56.98 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 1.1 110.424 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 42.8 m -55.51 -28.37 54.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.838 0.351 . . . . 1.34 111.579 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.423 ' HG2' ' HG3' ' B' ' 26' ' ' GLN . 21.3 mtt180 -69.87 -48.8 57.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 3.18 111.555 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.527 HG22 HG11 ' B' ' 30' ' ' VAL . 97.2 t -59.13 -31.28 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.653 0.74 . . . . 1.18 110.044 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.47 -25.47 22.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.799 -1.091 . . . . 1.35 111.344 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -125.0 -83.87 0.64 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.348 0.499 . . . . 1.68 112.348 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.423 ' HG3' ' HG2' ' B' ' 22' ' ' ARG . 2.9 pt20 -87.7 92.47 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.516 -0.765 . . . . 4.55 110.666 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.33 62.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.051 -0.977 . . . . 2.15 112.103 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 7.0 m -61.59 164.69 5.67 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.749 -0.463 . . . . 2.51 109.749 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.618 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 1.0 OUTLIER 69.63 -58.52 0.52 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 122.856 0.462 . . . . 1.63 110.382 -177.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.527 HG11 HG22 ' B' ' 23' ' ' VAL . 39.0 t -57.58 102.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.373 0.606 . . . . 1.84 111.588 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -66.19 157.9 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 1.42 110.395 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.28 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.191 0.441 . . . . 1.59 112.191 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -56.71 -45.57 81.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 3.76 111.592 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.409 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -84.93 -30.44 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.288 -0.414 . . . . 1.34 111.49 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' B' ' 30' ' ' VAL . 73.1 ttt180 -63.77 -52.23 61.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 3.81 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -64.67 -29.86 70.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 2.09 110.779 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 7.5 tppt? -61.45 -43.56 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 2.16 110.105 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.413 ' CG1' HG12 ' B' ' 20' ' ' VAL . 59.4 t -69.76 -48.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.53 -0.759 . . . . 1.14 110.6 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.28 -40.64 82.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.017 -0.538 . . . . 1.79 111.193 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -67.15 -38.06 84.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.386 -0.37 . . . . 1.38 110.613 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -31.87 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.018 -0.537 . . . . 1.14 110.535 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -61.39 -23.73 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.259 0.552 . . . . 1.14 110.159 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.46 -29.98 14.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.825 -0.625 . . . . 1.26 110.395 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 21.9 mm-40 -67.13 -56.77 8.59 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.099 -0.501 . . . . 1.55 110.661 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.52 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -74.88 -16.68 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.621 -0.718 . . . . 1.58 110.824 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 67.12 54.6 0.73 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.428 -1.323 . . . . 1.87 107.428 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.645 ' HH ' ' HB2' ' B' ' 6' ' ' LEU . 2.3 t80 -50.98 115.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.91 -1.495 . . . . 2.23 112.799 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.465 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 32.0 mm -111.45 94.96 24.48 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 107.821 -1.178 . . . . 1.97 107.821 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -29.71 128.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 124.887 3.725 . . . . 0.95 114.946 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.53 HD21 " H4'" ' C' ' 13' ' ' ' DG' . 11.2 m-20 -68.52 75.55 0.27 Allowed 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.173 -0.922 . . . . 1.64 110.041 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -50.87 -28.0 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.757 0.651 . . . . 5.46 112.757 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.752 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 77.2 m -74.28 -60.56 2.21 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.378 0.51 . . . . 0.92 112.378 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.513 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -80.46 -23.22 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.255 0.835 . . . . 1.22 113.255 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 42.4 mt-30 -75.5 -44.85 41.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.89 0.314 . . . . 1.49 111.129 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -65.91 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.499 -0.926 . . . . 3.16 108.499 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.831 HD23 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -65.97 -70.25 0.25 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.112 -1.404 . . . . 1.2 110.527 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.671 ' HB3' ' H22' ' C' ' 13' ' ' ' DG' . . . -57.92 -28.33 64.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.06 -0.973 . . . . 1.12 111.981 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 77.24 0.77 Allowed Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 120.845 -0.693 . . . . 2.13 112.008 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -63.14 -30.4 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.121 0.486 . . . . 5.3 110.347 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -99.08 57.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.5 0.667 . . . . 8.03 109.834 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.16 52.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 7.32 110.807 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.313 -0.851 . . . . 8.36 110.56 -179.749 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O4'-C1'-C2' 107.198 0.998 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.192 -1.008 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.725 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.895 0 N19-C1'-C2' 115.716 0.948 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.725 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.722 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 N19-C1'-C2' 116.444 1.402 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.444 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 102.353 -0.847 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.428 " H5'" " H1'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 C4'-C3'-C2' 102.271 -0.929 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.518 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 C4'-C3'-C2' 102.383 -0.817 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.518 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-N19 108.631 1.039 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.483 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.49 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.288 -0.912 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.699 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C2'-C3'-O3' 115.479 1.807 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.83 " H2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O4'-C1'-N19 109.712 2.39 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.798 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.543 1.554 0 O4'-C1'-N19 106.262 -1.922 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.468 " H5'" " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.606 1.007 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.436 ' OP2' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C5'-C4'-C3' 115.929 0.819 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.527 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.145 -1.055 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.527 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C4'-C3' 104.85 -0.75 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-C2' 102.215 -0.985 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.485 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.952 0.774 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.459 " H1'" " H5'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 N19-C1'-C2' 115.647 0.904 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.567 ' C6 ' ' H73' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 115.659 0.912 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.567 ' H73' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 116.038 1.149 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O4'-C1'-C2' 107.018 0.835 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C4'-C3'-C2' 102.344 -0.856 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.714 ' C8 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.189 0.99 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.714 ' H73' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 N19-C1'-C2' 115.798 0.999 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.618 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.438 0.572 0 C4'-C3'-C2' 102.184 -1.016 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.685 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.103 -1.097 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.685 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 116.338 1.092 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.401 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.444 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.312 -0.888 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.504 " H1'" " H5'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C5'-C4'-C3' 116.197 0.998 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.504 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.85 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 C4'-C3'-O3' 112.988 1.222 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.85 ' N7 ' H2'' ' D' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 N19-C1'-C2' 116.279 1.299 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.627 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.867 2.584 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.532 ' OP1' ' HG3' ' A' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C4'-C3'-C2' 102.348 -0.852 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.54 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.463 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C4'-C3'-C2' 102.252 -0.948 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.463 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.117 0.925 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.423 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.495 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.526 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.526 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.39 -0.81 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C4'-C3' 104.88 -0.72 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.837 0.351 . . . . 6.78 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -139.99 77.63 25.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.421 . . . . 5.1 111.057 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -85.33 88.79 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.912 2.408 . . . . 1.67 111.7 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 1.27 109.89 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 1.07 110.129 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.887 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 1.11 110.724 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 1.07 109.927 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 1.08 111.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 2.38 111.066 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 1.05 111.243 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 1.12 109.997 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.478 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.37 109.175 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.887 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 2.19 110.157 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.64 109.49 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.14 109.71 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' HG21 ' A' ' 24' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 1.02 109.744 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.88 109.977 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.6 110.354 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 1.18 109.712 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 1.08 112.687 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 5.44 111.104 -178.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.79 112.094 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.87 106.701 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.641 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.77 111.201 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.66 109.55 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' HG ' ' P ' ' C' ' 5' ' ' ' DT' . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.73 111.249 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.81 110.569 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 1.21 110.957 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.82 110.693 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 1.59 110.921 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 1.07 110.74 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.59 110.332 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 1.17 110.61 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 1.08 111.161 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 1.11 111.123 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 1.23 110.142 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.36 110.435 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 12' ' ' TYR . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 2.46 111.484 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.45 109.414 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 2.01 112.179 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.83 109.988 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.65 111.998 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54 111.287 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.89 110.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.83 109.903 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 1.18 109.945 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.41 109.591 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.53 110.442 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.27 111.062 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB1' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 1.24 110.405 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.42 19.77 49.55 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.14 112.047 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 24.9 tptp -93.9 7.6 44.37 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.145 0.498 . . . . 6.76 110.326 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 34.6 tt0 -50.27 124.36 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.565 -0.743 . . . . 7.2 110.752 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -79.04 65.06 4.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.293 0.568 . . . . 7.21 110.998 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.388 -0.824 . . . . 10.03 109.889 179.757 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.41 0.148 . . . . 7.98 111.366 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.519 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 63.7 tttp -58.17 -54.43 55.78 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.761 0.282 . . . . 5.32 111.761 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 60.6 Cg_endo -76.26 90.92 1.15 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.803 1.669 . . . . 1.82 112.117 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.602 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 58.5 t -82.53 133.71 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 1.33 109.781 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.473 HG22 ' OP1' ' C' ' 13' ' ' ' DG' . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 1.12 110.952 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.839 HD21 ' OP2' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 1.37 108.102 178.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.688 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 2.18 109.916 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.31 109.966 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.565 ' HA ' HD22 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 1.05 109.713 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 1.07 111.388 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.34 111.354 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.587 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 2.46 111.894 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 1.18 111.762 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.61 112.242 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 1.11 110.242 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.78 108.313 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.536 ' HH ' ' C7 ' ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 2.39 110.39 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.427 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 1.4 110.51 178.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.581 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 1.15 109.333 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 1.1 108.188 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.405 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.34 110.985 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 1.0 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 3.18 111.322 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.664 HG21 HG12 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 1.18 110.537 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 1.35 112.271 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.52 ' HB3' ' NE2' ' B' ' 60' ' ' GLN . 11.3 p30 -146.95 -34.47 0.27 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.68 114.185 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 1.0 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 9.8 mm100 -82.57 73.95 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.046 -0.408 . . . . 4.55 111.128 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' B' ' 28' ' ' SER . . . -54.18 164.21 0.69 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.134 -0.939 . . . . 2.15 111.686 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.681 ' O ' HG22 ' B' ' 30' ' ' VAL . 74.6 m 71.93 179.66 0.23 Allowed 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.826 -0.805 . . . . 2.51 108.826 -177.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.669 ' HB3' ' C7 ' ' D' ' 4' ' ' ' DT' . 2.0 p-80 37.92 36.35 0.1 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.63 115.13 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.681 HG22 ' O ' ' B' ' 28' ' ' SER . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.84 108.828 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.465 ' HG ' " H3'" ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.42 111.24 -179.255 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.59 111.886 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.76 111.19 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.449 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 1.34 111.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.534 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.81 110.579 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.09 110.583 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 2.16 110.419 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.14 110.7 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 1.38 110.301 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' B' ' 9' ' ' VAL . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 1.14 110.595 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.439 ' HE2' HG12 ' B' ' 38' ' ' VAL . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 1.14 110.437 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.26 110.871 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 1.58 110.845 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.87 107.232 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.561 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 2.23 113.139 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.602 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.97 107.726 177.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.95 115.046 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.668 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.64 110.227 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 5.46 112.831 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.92 112.577 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.491 ' HB2' " H4'" ' C' ' 13' ' ' ' DG' . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 1.22 113.353 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 3.16 109.229 178.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.809 HD22 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 1.2 110.821 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.642 ' HB1' ' H22' ' C' ' 13' ' ' ' DG' . . . -56.41 -14.52 3.05 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.12 112.711 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.57 -63.69 0.27 Allowed Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.848 -0.691 . . . . 2.13 112.573 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 10.2 ttpp 64.3 92.66 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.183 0.516 . . . . 5.3 110.092 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.52 ' NE2' ' HB3' ' B' ' 25' ' ' ASN . 4.4 pp0? -49.58 146.13 4.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.252 -0.886 . . . . 8.03 111.913 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -128.23 31.98 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.851 -0.613 . . . . 7.32 110.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.307 -0.854 . . . . 8.36 110.65 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 O4'-C1'-C2' 107.122 0.929 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.437 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.247 -0.953 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.759 ' C8 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.881 0 O4'-C1'-C2' 107.335 1.123 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.759 ' H71' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.156 0.96 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.641 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.443 0.91 0 C2'-C3'-O3' 115.043 1.646 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . 0.52 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O3'-C3' 120.832 0.943 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . 0.515 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.27 -0.93 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . 0.515 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.504 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.052 -1.148 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.5 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.492 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C5'-C4'-O4' 108.044 -0.848 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.623 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.912 0 C2'-C3'-O3' 115.391 1.774 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . 0.688 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.615 2.269 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.839 ' OP2' HD21 ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.541 1.407 0 C5'-C4'-C3' 118.033 2.222 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.536 ' C7 ' ' HH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 116.802 1.402 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.515 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C2'-C3'-O3' 113.908 1.225 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.515 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.062 0.874 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.991 0.81 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.432 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.523 ' C8 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.523 ' H71' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.291 -0.909 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.505 ' C6 ' ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 102.385 -0.815 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.505 ' H71' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.969 0.79 . . . . 2.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C4'-C3'-C2' 102.27 -0.93 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.44 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C1'-C2' 107.217 1.015 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.545 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.669 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 116.704 1.565 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . 0.484 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 N19-C1'-C2' 116.005 1.128 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.574 ' C8 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.237 1.034 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.574 ' H73' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C5'-C4'-C3' 116.343 1.095 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C5'-C4'-C3' 116.05 0.9 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . 0.566 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ' DT' . . . . . 0.566 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.75 1.188 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.742 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-O3' 113.162 1.301 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ' DG' . . . . . 0.809 ' C2 ' HD22 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 116.778 1.611 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ' DC' . . . . . 0.611 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-N19 109.777 2.472 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . 0.465 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C4'-C3'-C2' 102.195 -1.005 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ' DC' . . . . . 0.465 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.245 -0.955 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.519 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . 0.519 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.978 0.798 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.454 ' C4 ' ' N7 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.104 0.913 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ' DA' . . . . . 0.575 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.575 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.114 0.922 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ' DT' . . . . . 0.533 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.529 0.912 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' ' DC' . . . . . 0.435 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 106.965 0.787 . . . . 1.93 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 N--CA 1.458 -0.61 0 CA-C-O 121.245 0.435 . . . . 1.3 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.782 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 58.8 t -68.82 132.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.476 -0.783 . . . . 0.54000000000000004 109.539 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 169.61 8.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.79 -0.641 . . . . 0.40999999999999998 110.122 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.959 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.85 0.357 . . . . 0.28999999999999998 111.047 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -76.77 -35.59 57.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.532 -0.544 . . . . 0.48999999999999999 109.532 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' HB2' HG13 ' A' ' 4' ' ' VAL . 14.2 m-20 -69.31 -37.58 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 1.75 109.766 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.64 -43.58 70.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.776 . . . . 0.22 109.871 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.88 75.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.285 -0.87 . . . . 0.29999999999999999 110.575 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -34.8 69.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.634 -0.712 . . . . 2.21 110.885 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 45' ' ' LEU . 23.9 t80 -77.62 -39.28 45.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 1.49 111.35 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 37' ' ' LYS . . . -84.54 -13.8 50.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.402 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.76 36.44 53.14 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.703 -0.76 . . . . 0.52000000000000002 111.329 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 13' ' ' ALA . 21.8 m -123.56 -166.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.535 . . . . 0.35999999999999999 110.111 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -100.18 155.85 17.52 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.959 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 49.7 p90 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 1.3200000000000001 109.808 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.0 tp60 -68.0 -38.31 82.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.554 -0.748 . . . . 1.0900000000000001 109.021 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 23' ' ' VAL . 90.3 m -63.37 -45.61 90.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.48999999999999999 109.49 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.7 t -58.14 -49.92 79.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.25 110.506 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -35.68 76.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 0.87 110.946 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.88 ' HB3' HG22 ' A' ' 30' ' ' VAL . 77.5 mtt-85 -68.83 -30.73 69.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.403 -0.362 . . . . 2.0299999999999998 110.378 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.5 t -76.86 -41.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.44 109.889 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.6 t -64.95 -41.7 92.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.818 -0.628 . . . . 0.40999999999999998 110.309 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -74.91 -40.88 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.517 -0.765 . . . . 1.72 111.853 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.476 HE22 ' NE ' ' A' ' 35' ' ' ARG . 23.6 mm-40 62.49 64.59 0.92 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.598 -0.519 . . . . 4.8799999999999999 109.598 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.75 -84.22 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.315 0.487 . . . . 2.27 112.315 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.3 168.02 20.73 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.283 -0.26 . . . . 1.52 110.934 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.678 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 65.27 25.99 12.21 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.396 0.678 . . . . 0.76000000000000001 112.103 -179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.88 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -120.56 129.23 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 1.1599999999999999 111.385 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.5 p -98.56 152.87 19.11 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 1.3 108.938 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.96 71.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.947 0.403 . . . . 1.0600000000000001 110.685 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -57.4 -52.42 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.709 -0.678 . . . . 3.3900000000000001 111.248 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 p -77.21 -32.15 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.65000000000000002 112.153 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.476 ' NE ' HE22 ' A' ' 26' ' ' GLN . 16.1 ttt180 -58.33 -49.76 76.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.113 0.482 . . . . 3.3100000000000001 111.016 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -70.06 -20.81 63.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 1.45 111.664 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.65 ' HG2' ' HB1' ' A' ' 13' ' ' ALA . 23.8 ttpt -82.11 -35.33 28.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.269 0.557 . . . . 0.97999999999999998 110.202 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.6 t -75.53 -42.25 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.521 -0.763 . . . . 0.35999999999999999 110.672 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 38.1 mt-10 -64.75 -27.47 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.231 0.538 . . . . 1.5900000000000001 110.358 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.17 28.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.413 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -69.66 -39.72 76.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.233 -0.439 . . . . 0.37 111.246 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.883 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 16.7 ptp -71.25 -8.42 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.39000000000000001 110.725 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.44 -25.0 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.41 0.624 . . . . 0.53000000000000003 109.979 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -75.75 -52.36 10.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.197 -0.911 . . . . 1.3600000000000001 110.687 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -83.79 -8.49 59.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.068 -0.969 . . . . 1.8799999999999999 112.052 -178.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 63.63 64.98 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.563 0.697 . . . . 2.0099999999999998 109.689 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.883 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 14.1 t80 -77.13 133.37 39.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.944 -1.025 . . . . 1.1599999999999999 111.346 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.49 109.48 48.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.253 -0.885 . . . . 1.1599999999999999 110.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.85 123.27 12.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.788 2.325 . . . . 0.55000000000000004 111.449 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -85.63 109.63 18.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.856 0.36 . . . . 0.54000000000000004 111.005 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.35 -26.08 55.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.483 . . . . 5.04 110.418 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.6 OUTLIER -70.77 -40.5 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.332 0.587 . . . . 0.82999999999999996 109.744 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -69.26 -31.48 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.304 -0.862 . . . . 0.45000000000000001 109.497 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -67.76 -42.91 81.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.422 -0.808 . . . . 1.21 109.596 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.34 -36.6 84.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 2.0099999999999998 110.127 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD23 HD23 ' B' ' 56' ' ' LEU . 12.1 tp -72.75 -50.69 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.615 . . . . 0.51000000000000001 110.843 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -34.5 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.631 -0.713 . . . . 0.48999999999999999 111.132 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.823 0 C-N-CA 120.76 -0.734 . . . . 1.1399999999999999 111.858 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 95.4 t . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.11 -0.7 . . . . 0.78000000000000003 109.11 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 18.2 p -88.59 167.79 13.1 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.47 -0.332 . . . . 0.5 110.525 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.508 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -76.95 -8.49 57.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.3 -1.37 . . . . 0.65000000000000002 107.3 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.515 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 28.8 m-85 -78.38 -38.96 40.56 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.726 -1.579 . . . . 1.27 109.402 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.37 -41.61 96.61 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.527 -0.761 . . . . 1.3100000000000001 110.018 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.458 ' HA ' HD23 ' B' ' 45' ' ' LEU . 69.9 t -60.38 -44.92 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.121 -0.945 . . . . 0.28000000000000003 110.689 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -65.0 -46.83 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.37 111.036 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.05 -42.09 84.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.468 -0.787 . . . . 2.3399999999999999 111.623 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.491 ' CB ' HD21 ' B' ' 45' ' ' LEU . 64.1 t80 -72.22 -41.04 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.119 0.485 . . . . 1.5800000000000001 110.623 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.408 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.45 -23.63 65.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.64000000000000001 111.543 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.4 22.41 51.29 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.58999999999999997 112.014 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.432 HG11 HG22 ' B' ' 34' ' ' THR . 29.2 m -121.38 172.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.801 0.334 . . . . 0.5 110.207 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.49 152.72 41.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.781 -0.822 . . . . 0.64000000000000001 108.781 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.519 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.02 -22.49 66.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 1.49 110.767 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -74.11 -26.84 60.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.96999999999999997 109.988 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.67 -28.81 70.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.865 -0.607 . . . . 0.54000000000000004 109.39 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 t -73.86 -49.11 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.458 -0.942 . . . . 0.44 108.458 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.7 t -48.86 -37.32 19.2 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 121.173 0.511 . . . . 1.29 109.994 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' B' ' 30' ' ' VAL . 35.7 mmt180 -62.37 -61.56 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.767 . . . . 2.6600000000000001 110.494 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.686 HG22 HG11 ' B' ' 30' ' ' VAL . 61.5 t -56.62 -36.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.45 . . . . 0.73999999999999999 111.449 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.48 -33.65 45.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.859 -0.609 . . . . 0.89000000000000001 112.033 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 C--N 1.332 -0.184 0 N-CA-C 113.243 0.831 . . . . 1.6799999999999999 113.243 -178.183 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 121.072 0.463 . . . . 1.3100000000000001 110.268 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.686 HG11 HG22 ' B' ' 23' ' ' VAL . 47.4 t -126.48 105.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.762 -0.458 . . . . 1.22 109.762 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.08 154.85 41.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.567 -0.742 . . . . 1.4199999999999999 110.311 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.31 73.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.421 -0.354 . . . . 1.0700000000000001 110.44 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 14.4 tppt? -53.24 -56.66 14.73 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.179 -0.464 . . . . 3.2999999999999998 111.207 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.432 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.22 -39.32 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.345 . . . . 0.79000000000000004 111.571 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.575 ' HG3' HG13 ' B' ' 23' ' ' VAL . 29.6 ttm180 -59.28 -47.19 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 3.21 111.082 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.51 -40.46 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 2.0899999999999999 111.424 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 74.2 mttt -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.471 -0.331 . . . . 1.6599999999999999 111.199 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 34' ' ' THR . 88.2 t -65.74 -43.43 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 0.42999999999999999 110.422 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.23 -41.33 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 1.79 111.081 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.54 -36.82 76.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.69999999999999996 110.951 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.45 71.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.46999999999999997 111.207 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.2 mtt -61.22 -26.1 67.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.52000000000000002 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.44 -30.93 14.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.932 0.396 . . . . 0.62 110.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.84 -52.34 63.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.164 0.507 . . . . 1.55 110.852 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -84.35 -15.44 46.43 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.791 -0.64 . . . . 0.98999999999999999 110.964 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.475 ' O ' HG13 ' B' ' 48' ' ' ILE . 1.4 t30 67.4 58.17 0.54 Allowed 'General case' 0 N--CA 1.46 0.044 0 N-CA-C 107.48 -1.304 . . . . 1.77 107.48 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -50.82 113.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.076 -1.42 . . . . 1.3300000000000001 113.566 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.698 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 61.4 mt -123.2 94.39 47.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 114.524 -1.216 . . . . 1.28 107.875 176.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -38.67 138.81 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 124.256 3.304 . . . . 0.82999999999999996 114.976 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.498 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -62.59 97.13 0.09 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.281 -0.872 . . . . 1.6399999999999999 109.216 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 51' ' ' ARG . 52.0 mtm-85 -55.25 -32.93 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.117 0.414 . . . . 4.7599999999999998 112.117 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 35.0 m -81.74 -56.8 3.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.925 0.342 . . . . 0.69999999999999996 111.925 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.88 88.15 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.434 0.902 . . . . 0.54000000000000004 113.434 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -71.18 -46.94 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.055 -0.258 . . . . 1.49 111.362 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 15.7 tm0? -57.75 -37.06 72.95 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.681 0.753 . . . . 2.52 108.992 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 53' ' ' ALA . 10.4 tp -66.11 -66.65 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.318 -1.31 . . . . 0.57999999999999996 111.13 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 O-C-N 124.172 0.92 . . . . 1.02 113.081 -178.512 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.023 0.343 . . . . 1.3 112.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.974 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.3 t -85.07 137.89 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.857 -0.611 . . . . 0.54000000000000004 109.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.24 168.7 8.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.882 -0.599 . . . . 0.40999999999999998 110.32 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.829 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -63.15 -16.65 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.28999999999999998 111.233 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 73.6 m-85 -75.94 -38.7 57.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.48999999999999999 110.301 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.75 78.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.75 110.183 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.32 -41.64 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.686 -0.688 . . . . 0.22 109.59 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.24 -43.27 96.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.29999999999999999 111.073 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.6 mm-40 -66.18 -30.73 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 2.21 111.423 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 31.4 t80 -80.98 -35.11 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.692 0.282 . . . . 1.49 111.191 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.09 -11.42 52.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.46000000000000002 111.443 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 38.82 53.52 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.979 -0.848 . . . . 0.52000000000000002 110.979 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.0 m -132.61 -169.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.481 . . . . 0.35999999999999999 110.178 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -98.1 154.76 17.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.851 -0.613 . . . . 1.26 109.64 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.829 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 40.9 p90 -58.34 -32.49 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 1.3200000000000001 110.504 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.716 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -67.3 -36.31 81.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.86 -0.609 . . . . 1.0900000000000001 110.075 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -61.7 -43.77 98.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.094 -0.706 . . . . 0.48999999999999999 109.094 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.605 ' HA ' HG11 ' A' ' 38' ' ' VAL . 69.2 t -60.32 -45.98 95.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.702 -1.135 . . . . 0.25 109.957 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -58.78 -36.06 73.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.87 110.984 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 30' ' ' VAL . 33.3 mmt180 -63.09 -38.12 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.109 0.481 . . . . 2.0299999999999998 109.737 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG21 ' HB ' ' A' ' 38' ' ' VAL . 59.9 t -75.56 -42.75 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.427 -0.806 . . . . 0.44 111.049 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.8 t -64.04 -43.79 97.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.923 -0.581 . . . . 0.40999999999999998 110.392 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -73.0 -31.11 64.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 1.72 111.407 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.45 35.11 14.98 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.494 0.664 . . . . 4.8799999999999999 109.907 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.15 -137.15 0.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.12 -0.945 . . . . 2.27 111.102 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 m -92.28 170.79 9.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.443 -0.344 . . . . 1.52 110.967 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.99 32.8 10.24 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.544 0.738 . . . . 0.76000000000000001 112.016 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -123.61 116.67 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.185 0.517 . . . . 1.1599999999999999 111.84 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.7 p -90.43 152.35 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.763 -0.653 . . . . 1.3 109.337 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.86 -34.54 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 1.0600000000000001 110.55 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.94 -52.77 47.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.779 -0.646 . . . . 3.3900000000000001 111.276 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.776 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -81.88 -30.92 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.65000000000000002 111.835 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 35' ' ' ARG . 31.0 ttm180 -57.53 -38.71 75.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 3.3100000000000001 111.094 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.5 mt-10 -79.05 -28.76 43.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.677 0.621 . . . . 1.45 112.677 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.2 ptpt -82.42 -31.27 29.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.187 -0.605 . . . . 0.97999999999999998 110.823 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.9 t -75.88 -39.51 37.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.21 -0.45 . . . . 0.35999999999999999 110.329 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.49 -30.75 71.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.253 0.549 . . . . 1.5900000000000001 109.963 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.1 -41.73 27.96 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.682 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.87 92.04 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.98 0.419 . . . . 0.37 111.555 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 21.0 ptp -71.65 -8.64 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.39000000000000001 111.26 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.03 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 0.53000000000000003 109.984 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 mm-40 -72.65 -56.62 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.3600000000000001 110.805 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -80.03 -9.68 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.824 -1.08 . . . . 1.8799999999999999 112.273 -178.094 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.3 t30 68.34 63.02 0.36 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.713 0.768 . . . . 2.0099999999999998 109.173 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.974 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.4 t80 -66.79 138.53 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.743 -1.117 . . . . 1.1599999999999999 111.714 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mm -112.3 105.87 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.525 -0.761 . . . . 1.1599999999999999 110.916 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 108.06 2.02 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.693 2.262 . . . . 0.55000000000000004 111.338 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.8 101.91 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 0.54000000000000004 111.433 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.3 mmt180 -71.09 -23.86 62.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 5.04 110.421 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.653 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -73.77 -39.42 64.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.82999999999999996 109.51 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.22 -32.02 71.94 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.45000000000000001 109.491 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.26 -37.41 87.12 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.155 -0.93 . . . . 1.21 110.002 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 85.4 mm-40 -67.63 -37.73 82.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.748 -0.66 . . . . 2.0099999999999998 110.536 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.37 -53.38 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.582 -0.736 . . . . 0.51000000000000001 111.21 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.18 76.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.48999999999999999 112.351 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 1.1399999999999999 113.056 -179.634 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.744 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.8 t . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.78000000000000003 109.975 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.1 p -87.68 172.3 9.8 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.362 -0.381 . . . . 0.5 110.157 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.535 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -76.21 -12.23 60.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 179.118 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.437 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 19.6 m-85 -76.24 -44.44 37.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.335 -1.302 . . . . 1.27 109.054 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.441 ' HB2' HG13 ' B' ' 4' ' ' VAL . 32.1 m-20 -64.14 -41.29 97.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 110.347 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 5' ' ' THR . 64.9 t -58.72 -41.23 81.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.98 -0.554 . . . . 0.28000000000000003 110.721 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.58 -52.93 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.556 -0.747 . . . . 0.37 111.728 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.6 mt-10 -60.44 -37.51 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.3399999999999999 111.233 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.454 ' CD1' HD21 ' B' ' 45' ' ' LEU . 87.4 t80 -64.08 -38.85 92.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 1.5800000000000001 110.718 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.706 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -76.96 -26.53 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.017 -0.538 . . . . 0.64000000000000001 111.234 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 -1.66 52.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.082 -0.58 . . . . 0.58999999999999997 112.221 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -95.34 178.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 122.277 0.231 . . . . 0.5 110.738 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -81.05 154.36 26.89 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.428 -0.952 . . . . 0.64000000000000001 108.428 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.62 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.05 -18.7 63.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.867 0.365 . . . . 1.49 111.01 -179.102 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.16 -17.37 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.96999999999999997 110.611 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -65.85 -29.87 70.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.102 -1.074 . . . . 0.54000000000000004 108.102 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.42 HG13 ' CG1' ' B' ' 38' ' ' VAL . 5.1 t -72.85 -50.75 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.891 -1.05 . . . . 0.44 108.793 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -47.12 -36.99 9.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.925 -0.58 . . . . 1.29 111.249 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -56.67 -60.69 3.18 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.505 -0.771 . . . . 2.6600000000000001 111.229 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.45 -36.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.242 -0.435 . . . . 0.73999999999999999 111.787 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.74 -38.15 77.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.888 -0.596 . . . . 0.89000000000000001 112.255 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.513 . . . . 1.6799999999999999 111.397 -179.31 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 121.222 0.534 . . . . 1.3100000000000001 109.883 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.27 136.52 56.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 1.22 109.089 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 41.26 0.95 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.552 -0.295 . . . . 1.4199999999999999 111.56 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 67.84 -61.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.579 0.751 . . . . 1.0700000000000001 111.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -59.17 -36.64 75.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 3.2999999999999998 110.837 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -64.64 -45.11 88.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.79000000000000004 110.334 179.173 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -62.63 -46.55 87.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.965 -0.562 . . . . 3.21 110.536 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.12 -38.59 91.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.62 -0.718 . . . . 2.0899999999999999 110.893 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.706 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.6 ttpt -66.55 -38.68 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 1.6599999999999999 111.287 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 34' ' ' THR . 95.2 t -70.8 -49.69 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.42999999999999999 110.632 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.24 -38.99 85.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.769 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.02 -40.13 83.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.69999999999999996 110.358 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.71 68.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.18 0.514 . . . . 0.46999999999999997 110.808 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtt -64.0 -21.72 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.452 -0.794 . . . . 0.52000000000000002 110.484 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.48 -33.17 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.62 111.213 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.4 mm-40 -62.07 -44.65 96.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.263 -0.426 . . . . 1.55 111.132 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -99.28 -9.57 23.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.98999999999999999 111.827 -179.197 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t30 67.36 65.73 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.789 -0.819 . . . . 1.77 108.789 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.744 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.8 t80 -56.62 119.99 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.755 -1.111 . . . . 1.3300000000000001 112.352 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 35.1 mm -124.89 96.01 41.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 107.971 -1.122 . . . . 1.28 107.971 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.01 134.75 10.86 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.244 2.63 . . . . 0.82999999999999996 113.326 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -58.17 95.73 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.726 -0.67 . . . . 1.6399999999999999 109.907 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -51.23 -32.51 24.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.002 0.741 . . . . 4.7599999999999998 113.002 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.653 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.9 m -81.63 -54.41 5.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.946 0.351 . . . . 0.69999999999999996 111.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.02 67.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.182 0.808 . . . . 0.54000000000000004 113.182 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 6.9 mm-40 -68.0 -54.47 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.417 0.155 . . . . 1.49 111.417 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -58.65 -32.0 68.68 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.083 0.468 . . . . 2.52 110.307 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 10.8 tp -67.24 -65.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.811 -1.086 . . . . 0.57999999999999996 110.46 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 124.305 1.003 . . . . 1.02 112.575 -178.637 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.275 . . . . 1.3 111.647 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.899 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 98.5 t -71.75 142.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 0.54000000000000004 110.168 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -106.69 165.14 11.52 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.674 -0.694 . . . . 0.40999999999999998 110.003 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.967 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.1 pt? -67.02 -12.92 61.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.774 0.321 . . . . 0.28999999999999998 110.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -77.49 -37.67 50.7 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.064 -0.517 . . . . 0.48999999999999999 109.659 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.88 -39.15 83.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.725 -0.67 . . . . 1.75 109.691 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.18 -44.12 81.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.22 110.052 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.8 92.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.482 -0.781 . . . . 0.29999999999999999 110.9 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.26 -32.22 69.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 2.21 111.124 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.66 -35.12 39.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 1.49 111.377 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.15 -11.84 48.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.963 0.411 . . . . 0.46000000000000002 111.068 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.31 31.95 53.27 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 111.398 -0.681 . . . . 0.52000000000000002 111.398 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.4 m -124.12 -166.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.373 . . . . 0.35999999999999999 110.279 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 p -104.52 155.15 19.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.327 -0.619 . . . . 1.26 109.327 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.967 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.6 p90 -61.04 -30.19 70.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.977 0.418 . . . . 1.3200000000000001 110.291 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.4 -36.76 79.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.129 -0.693 . . . . 1.0900000000000001 109.129 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.3 m -64.01 -40.9 97.37 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.148 -0.686 . . . . 0.48999999999999999 109.148 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 63.2 t -59.64 -48.77 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.219 -0.901 . . . . 0.25 109.427 177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -61.96 -35.37 78.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.914 -0.584 . . . . 0.87 110.146 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.817 ' HG3' HG22 ' A' ' 30' ' ' VAL . 9.0 tpp180 -62.9 -35.94 81.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 2.0299999999999998 110.069 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.643 HG13 ' HG3' ' A' ' 35' ' ' ARG . 99.0 t -80.79 -46.18 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.593 -0.73 . . . . 0.44 111.089 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 59.8 t -63.27 -42.51 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.998 -0.547 . . . . 0.40999999999999998 111.34 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -76.38 -23.61 54.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.929 0.395 . . . . 1.72 111.065 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 59.55 46.5 12.0 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.42 -0.809 . . . . 4.8799999999999999 110.28 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.14 -141.58 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.27 111.099 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.56 176.32 6.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.846 -0.427 . . . . 1.52 109.846 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.81 33.29 21.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.39 0.515 . . . . 0.76000000000000001 112.39 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -118.45 122.99 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.506 -0.478 . . . . 1.1599999999999999 111.257 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.0 p -101.64 151.93 21.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.743 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.21 77.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.935 0.346 . . . . 1.0600000000000001 111.935 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -53.83 -49.02 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.176 -0.465 . . . . 3.3900000000000001 111.29 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.613 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -79.06 -36.18 41.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.969 -0.559 . . . . 0.65000000000000002 111.64 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.643 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.3 ttt180 -55.04 -49.18 72.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 3.3100000000000001 111.87 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.7 -30.25 66.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.06 0.763 . . . . 1.45 113.06 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.6 ptpt -79.42 -27.71 41.73 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.229 -0.588 . . . . 0.97999999999999998 110.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.0 t -80.57 -41.34 20.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.228 -0.442 . . . . 0.35999999999999999 110.082 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.98 -26.79 68.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 1.5900000000000001 110.041 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -41.84 18.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.591 -0.731 . . . . 0.52000000000000002 110.826 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.24 86.9 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.37 111.21 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.798 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 23.3 ptp -72.49 -9.25 58.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.39000000000000001 110.564 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.53 -20.46 20.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 0.53000000000000003 109.941 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -76.13 -56.3 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.325 -0.852 . . . . 1.3600000000000001 110.764 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.25 -11.19 59.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.677 -1.147 . . . . 1.8799999999999999 111.066 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 66.65 64.83 0.48 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.494 -0.775 . . . . 2.0099999999999998 109.365 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 14.6 t80 -76.17 129.44 36.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.798 -1.092 . . . . 1.1599999999999999 111.145 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.64 110.4 49.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 1.1599999999999999 109.952 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.49 114.93 2.16 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.55000000000000004 111.547 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -75.1 103.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.54000000000000004 110.895 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.7 -22.96 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 5.04 110.878 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.769 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -71.89 -40.41 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.43 -0.582 . . . . 0.82999999999999996 109.43 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.19 64.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.45000000000000001 109.83 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.89 -37.27 84.09 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.692 -0.685 . . . . 1.21 109.826 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.03 -24.16 61.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.244 0.545 . . . . 2.0099999999999998 110.171 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 tp -81.05 -54.61 5.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.51000000000000001 110.062 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.89 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.508 -0.769 . . . . 0.48999999999999999 111.13 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.839 -0.696 . . . . 1.1399999999999999 112.431 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 66.4 t . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.78000000000000003 110.045 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.421 HG22 ' ND2' ' B' ' 50' ' ' ASN . 17.6 p -96.08 166.57 11.69 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.005 -0.543 . . . . 0.5 110.299 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.57 HD12 HG21 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -77.68 -10.91 59.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.632 -1.247 . . . . 0.65000000000000002 107.632 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.42 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 25.9 m-85 -76.0 -40.8 52.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 113.535 -1.666 . . . . 1.27 109.748 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -60.72 -38.45 85.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.684 -0.689 . . . . 1.3100000000000001 110.33 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.698 ' HA ' HD23 ' B' ' 45' ' ' LEU . 45.5 t -63.83 -39.2 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.254 -0.884 . . . . 0.28000000000000003 110.967 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.597 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -72.59 -48.84 36.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.37 111.744 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.9 -31.33 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.694 -0.685 . . . . 2.3399999999999999 111.965 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -79.37 -38.77 34.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.345 -0.388 . . . . 1.5800000000000001 111.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.49 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -74.44 -21.99 59.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 0.64000000000000001 111.893 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.36 38.15 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.974 -0.632 . . . . 0.58999999999999997 112.597 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.499 HG11 HG22 ' B' ' 34' ' ' THR . 21.1 m -119.14 179.15 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.953 -0.388 . . . . 0.5 109.953 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -75.72 156.62 34.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.589 -0.893 . . . . 0.64000000000000001 108.589 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.597 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.68 -22.14 66.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.461 0.648 . . . . 1.49 109.364 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 1.3 tt0 -76.06 -23.87 55.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.608 -0.724 . . . . 0.96999999999999997 110.646 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.8 m -62.41 -36.87 83.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.006 -0.739 . . . . 0.54000000000000004 109.006 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.471 ' HA ' HG11 ' B' ' 38' ' ' VAL . 62.1 t -75.37 -39.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.947 -1.024 . . . . 0.44 108.863 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 1.9 t -57.37 -34.17 68.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.416 -0.811 . . . . 1.29 110.462 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 22.4 mmt180 -64.44 -48.07 76.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.679 -0.691 . . . . 2.6600000000000001 111.074 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 t -67.16 -38.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 0.73999999999999999 110.104 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 20.7 t -65.62 -37.58 80.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 0.89000000000000001 111.142 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 1.6799999999999999 110.961 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.777 0.322 . . . . 1.3100000000000001 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -135.21 123.49 39.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 178.361 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 171.94 12.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.279 -0.419 . . . . 1.4199999999999999 111.067 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.11 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.065 0.394 . . . . 1.0700000000000001 112.065 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -66.46 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.379 0.511 . . . . 3.2999999999999998 112.379 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.499 HG22 HG11 ' B' ' 15' ' ' VAL . 0.7 OUTLIER -95.88 -44.9 7.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.91 0.708 . . . . 0.79000000000000004 112.91 -178.117 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 75.9 ttt180 -57.03 -53.39 58.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.764 0.316 . . . . 3.21 111.378 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.75 -28.25 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.386 -0.37 . . . . 2.0899999999999999 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 22.1 ttmm -69.72 -42.4 74.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.378 -0.374 . . . . 1.6599999999999999 110.149 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 20' ' ' VAL . 77.6 t -63.74 -49.44 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.42999999999999999 110.28 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 38.7 mt-10 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 1.79 110.86 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.74 63.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.69999999999999996 110.713 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.77 70.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.535 . . . . 0.46999999999999997 111.187 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 65.8 mtt -59.39 -26.71 65.34 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.222 -0.445 . . . . 0.52000000000000002 110.621 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.06 -38.71 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.515 . . . . 0.62 110.832 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.67 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.729 -0.669 . . . . 1.55 110.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.3 OUTLIER -86.08 -10.81 54.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.305 -0.407 . . . . 0.98999999999999999 111.748 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 62.03 51.48 3.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.146 -1.427 . . . . 1.77 107.146 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -59.27 108.77 0.74 Allowed 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 114.023 -1.444 . . . . 1.3300000000000001 113.245 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.47 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 44.1 mm -120.32 94.14 48.56 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 106.513 -1.662 . . . . 1.28 106.513 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.44 119.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 124.633 3.555 . . . . 0.82999999999999996 114.195 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.421 ' ND2' HG22 ' B' ' 5' ' ' THR . 3.4 p-10 -67.19 88.34 0.17 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.403 -0.817 . . . . 1.6399999999999999 110.339 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -51.41 -31.02 21.25 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.614 -1.175 . . . . 4.7599999999999998 112.697 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.769 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.9 m -54.82 -49.91 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.836 0.351 . . . . 0.69999999999999996 111.524 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.42 -24.09 18.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 0.54000000000000004 111.453 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.01 -40.07 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.555 -0.293 . . . . 1.49 110.855 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.88 -38.51 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.428 -0.952 . . . . 2.52 108.428 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.464 ' HA ' HD12 ' B' ' 56' ' ' LEU . 8.3 tp -58.0 -67.19 0.37 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.749 -1.114 . . . . 0.57999999999999996 110.203 177.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 1.02 111.329 -179.249 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 C--O 1.232 0.217 0 CA-C-O 121.004 0.335 . . . . 1.3 111.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.931 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 82.4 t -73.25 135.53 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.394 -0.595 . . . . 0.54000000000000004 109.394 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.39 174.23 5.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.26 -0.427 . . . . 0.40999999999999998 110.612 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.76 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -65.16 -17.67 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.498 -0.319 . . . . 0.28999999999999998 110.563 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -75.17 -38.43 60.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.48999999999999999 109.944 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.648 ' HB2' HG13 ' A' ' 4' ' ' VAL . 53.5 m-20 -66.92 -38.73 86.75 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.13 0.491 . . . . 1.75 109.846 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.84 -44.61 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 0.22 109.754 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.85 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.027 -0.988 . . . . 0.29999999999999999 110.83 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.05 -32.91 69.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.067 -0.515 . . . . 2.21 111.787 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 45' ' ' LEU . 32.5 t80 -78.06 -35.89 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.575 -0.284 . . . . 1.49 111.477 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -86.46 -18.09 32.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.38 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 36.69 15.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.685 -0.769 . . . . 0.52000000000000002 111.378 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' HD2' ' A' ' 37' ' ' LYS . 31.4 m -128.95 -174.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.087 -0.338 . . . . 0.35999999999999999 110.087 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.52 155.49 16.72 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.693 -0.484 . . . . 1.26 109.693 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.76 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 33.6 p90 -59.11 -33.69 71.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.808 0.337 . . . . 1.3200000000000001 110.727 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.65 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.1 tp60 -65.33 -35.54 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.278 -0.638 . . . . 1.0900000000000001 109.278 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -63.24 -42.8 99.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.48999999999999999 109.812 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 24' ' ' VAL . 83.6 t -60.5 -46.35 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.358 -0.837 . . . . 0.25 110.041 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -59.2 -31.78 69.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.743 -0.662 . . . . 0.87 111.023 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 37.7 mmt180 -63.01 -29.18 70.62 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.241 -0.436 . . . . 2.0299999999999998 110.599 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG22 HG11 ' A' ' 30' ' ' VAL . 13.3 t -92.62 -48.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.44 111.376 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.4 t -52.07 -48.34 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.711 -0.677 . . . . 0.40999999999999998 112.664 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -109.99 5.99 22.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.736 -0.386 . . . . 1.72 111.42 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 47.0 mt-30 54.02 57.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.768 . . . . 4.8799999999999999 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.89 30.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.424 -0.807 . . . . 2.27 111.384 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 7.5 t 60.59 -172.82 0.13 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.37 -0.832 . . . . 1.52 111.219 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.25 34.88 24.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.155 -0.475 . . . . 0.76000000000000001 111.805 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -127.83 131.1 70.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.014 0.435 . . . . 1.1599999999999999 110.948 178.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -101.01 169.44 8.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.359 -0.837 . . . . 1.3 109.962 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.75 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.641 0.258 . . . . 1.0600000000000001 110.808 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 24.6 mtmt -52.99 -46.37 68.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.836 -0.62 . . . . 3.3900000000000001 111.324 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.661 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -83.16 -41.12 18.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.65000000000000002 111.861 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.8 ttt180 -60.33 -38.7 84.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.86 0.318 . . . . 3.3100000000000001 111.86 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.01 -9.51 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.39 0.515 . . . . 1.45 112.39 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -103.14 -29.87 11.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.97999999999999998 110.351 179.056 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 42' ' ' MET . 92.5 t -76.72 -45.82 31.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.35999999999999999 110.706 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.512 ' HG3' HG11 ' A' ' 23' ' ' VAL . 40.6 mt-10 -68.02 -20.37 64.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.222 0.534 . . . . 1.5900000000000001 110.113 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -84.8 -43.53 14.11 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.507 -0.77 . . . . 0.52000000000000002 109.834 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.59 86.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.087 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.788 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.2 ptp -71.9 -11.37 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.09 -0.505 . . . . 0.39000000000000001 111.064 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.32 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.53000000000000003 109.72 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -72.37 -57.67 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.319 -0.855 . . . . 1.3600000000000001 111.103 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -81.28 -9.88 59.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.831 -1.077 . . . . 1.8799999999999999 111.918 -178.367 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.1 m120 67.75 63.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.618 0.723 . . . . 2.0099999999999998 109.667 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.931 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.1 t80 -65.62 136.35 56.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.649 -1.16 . . . . 1.1599999999999999 111.862 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 mm -109.06 107.29 59.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.412 -0.813 . . . . 1.1599999999999999 111.007 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.69 111.58 2.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.684 2.256 . . . . 0.55000000000000004 110.512 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -79.87 112.83 17.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.54000000000000004 111.802 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -76.97 -22.02 53.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.563 -0.744 . . . . 5.04 110.558 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -48.85 21.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.912 -0.586 . . . . 0.82999999999999996 109.847 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -61.29 -31.78 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.336 -0.847 . . . . 0.45000000000000001 110.281 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.24 -38.68 91.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.739 -0.664 . . . . 1.21 109.909 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -71.99 -42.13 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 2.0099999999999998 110.331 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.9 -46.74 77.21 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 111.173 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.66 -23.08 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.48999999999999999 111.133 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 CA-C-N 115.95 -0.568 . . . . 1.1399999999999999 112.411 179.337 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.1 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.78000000000000003 110.233 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.4 p -89.37 175.26 7.39 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.932 -0.577 . . . . 0.5 110.746 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.534 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -81.13 -8.89 59.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.379 -1.341 . . . . 0.65000000000000002 107.379 178.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.424 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 14.4 m-85 -79.53 -44.46 21.13 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.496 -1.684 . . . . 1.27 109.576 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.47 -38.8 85.38 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.318 -0.855 . . . . 1.3100000000000001 110.338 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' B' ' 45' ' ' LEU . 68.0 t -60.4 -43.38 93.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.746 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.96 -48.51 65.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.37 111.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.89 -40.43 73.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.606 -0.725 . . . . 2.3399999999999999 111.818 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.572 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.6 t80 -73.53 -36.95 65.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.625 . . . . 1.5800000000000001 111.601 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.684 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -73.65 -22.87 59.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.64000000000000001 111.457 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.31 8.9 63.92 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.58999999999999997 112.265 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.25 169.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.131 -0.322 . . . . 0.5 110.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 148.22 44.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.809 -0.812 . . . . 0.64000000000000001 108.809 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -62.14 -21.55 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.373 . . . . 1.49 111.284 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.7 -24.0 60.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.06 0.457 . . . . 0.96999999999999997 109.874 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 51.8 m -68.08 -29.58 68.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.33 -0.989 . . . . 0.54000000000000004 108.33 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.407 HG13 HG11 ' B' ' 38' ' ' VAL . 15.0 t -69.8 -51.7 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.399 -0.963 . . . . 0.44 108.399 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -50.43 -36.2 32.08 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 120.906 0.384 . . . . 1.29 110.245 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 22.9 mtm180 -68.12 -51.54 45.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.055 -0.521 . . . . 2.6600000000000001 110.603 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.772 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.8 t -57.66 -33.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.386 0.612 . . . . 0.73999999999999999 110.669 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 71.2 t -81.82 -31.35 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.89000000000000001 112.177 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 . . . . . 0 C--N 1.332 -0.183 0 N-CA-C 112.765 0.654 . . . . 1.6799999999999999 112.765 -178.13 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.653 0.263 . . . . 1.3100000000000001 110.821 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' B' ' 22' ' ' ARG . 44.7 t -129.31 98.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.462 . . . . 1.22 110.881 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 159.05 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.654 -0.703 . . . . 1.4199999999999999 110.957 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.36 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 1.0700000000000001 110.86 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.69 -52.92 63.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.983 -0.553 . . . . 3.2999999999999998 111.561 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -68.62 -39.78 80.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.605 -0.271 . . . . 0.79000000000000004 111.468 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.772 ' HG3' HG13 ' B' ' 23' ' ' VAL . 45.1 ttt180 -60.98 -49.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 3.21 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.51 -33.99 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 2.0899999999999999 111.274 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.684 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.5 ttpt -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.877 0.37 . . . . 1.6599999999999999 110.25 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 34' ' ' THR . 84.4 t -70.54 -45.82 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.42999999999999999 110.282 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.27 -41.41 84.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 1.79 111.134 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.86 80.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.312 -0.404 . . . . 0.69999999999999996 110.554 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.46999999999999997 110.808 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 41.6 mtt -60.5 -23.82 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.54 . . . . 0.52000000000000002 110.24 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.71 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 0.62 110.367 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.77 -52.25 64.97 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 115.917 -0.583 . . . . 1.55 110.868 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.8 OUTLIER -81.53 -18.94 43.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 0.98999999999999999 111.299 -179.709 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.3 t30 69.85 59.78 0.28 Allowed 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 107.304 -1.369 . . . . 1.77 107.304 -176.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.5 t80 -49.08 118.88 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.129 -1.396 . . . . 1.3300000000000001 112.787 -178.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 46' ' ' ASN . 40.4 mt -116.87 94.51 44.44 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 107.304 -1.369 . . . . 1.28 107.304 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -28.21 122.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 125.014 3.809 . . . . 0.82999999999999996 114.902 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.4 57.66 0.53 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.988 -1.006 . . . . 1.6399999999999999 110.349 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -48.1 -25.33 1.4 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.538 0.94 . . . . 4.7599999999999998 113.538 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 -69.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.69999999999999996 109.806 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.938 -0.574 . . . . 0.54000000000000004 111.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.76 -45.26 65.1 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 1.49 110.635 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.44 -35.34 77.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.807 -0.442 . . . . 2.52 109.807 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 53' ' ' ALA . 16.7 tp -63.02 -57.82 9.38 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.355 -0.839 . . . . 0.57999999999999996 108.833 176.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 124.113 0.883 . . . . 1.02 112.782 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.462 -0.348 0 N-CA-C 110.917 -0.455 . . . . 1.3 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.759 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 76.7 t -66.62 129.68 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.118 -0.697 . . . . 0.54000000000000004 109.118 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -100.56 171.24 7.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.761 -0.654 . . . . 0.40999999999999998 110.106 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.727 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.44 -15.47 63.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.28999999999999998 110.545 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.96 -34.66 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.211 0.529 . . . . 0.48999999999999999 110.021 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.604 ' HB2' HG13 ' A' ' 4' ' ' VAL . 17.9 m-20 -72.95 -36.85 67.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.576 -0.738 . . . . 1.75 109.622 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.48 -44.69 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.425 -0.807 . . . . 0.22 109.91 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.41 98.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.025 -0.989 . . . . 0.29999999999999999 110.788 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -66.07 -41.91 90.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.848 -0.614 . . . . 2.21 111.458 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -70.93 -35.07 72.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 1.49 111.819 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.42 -20.36 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.93 0.395 . . . . 0.46000000000000002 111.373 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.63 37.35 12.05 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.983 -0.847 . . . . 0.52000000000000002 110.983 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.1 m -130.01 -165.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.712 -0.477 . . . . 0.35999999999999999 109.712 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 p -107.82 152.91 23.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.727 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.9 p90 -55.63 -33.78 64.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 1.3200000000000001 110.526 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 22' ' ' ARG . 63.3 tp60 -65.58 -36.0 82.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0900000000000001 109.823 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 23' ' ' VAL . 91.2 m -66.92 -41.71 86.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.756 -0.831 . . . . 0.48999999999999999 108.756 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.561 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.03 -45.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 0.25 109.877 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.685 -0.689 . . . . 0.87 110.75 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HB3' HG22 ' A' ' 30' ' ' VAL . 58.2 mtt180 -66.37 -30.97 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.0299999999999998 110.305 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 35' ' ' ARG . 46.4 t -81.05 -47.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.816 -0.629 . . . . 0.44 110.366 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.4 t -59.75 -46.65 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.177 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.81 -15.57 57.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 1.72 111.094 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 59.83 55.57 3.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.45 0.643 . . . . 4.8799999999999999 110.121 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.02 -148.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.229 -0.896 . . . . 2.27 111.377 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -100.57 -176.58 3.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 1.52 110.787 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 62.0 27.42 16.61 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.037 0.535 . . . . 0.76000000000000001 111.777 -178.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -120.12 105.7 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 120.63 -0.428 . . . . 1.1599999999999999 111.667 -179.42 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -73.45 153.74 40.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.13 -0.693 . . . . 1.3 109.13 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.3 -43.01 78.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.171 0.434 . . . . 1.0600000000000001 112.171 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -56.38 -47.01 79.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.339 -0.391 . . . . 3.3900000000000001 111.998 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.632 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -73.8 -37.35 64.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.047 -0.261 . . . . 0.65000000000000002 111.582 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HG3' HG13 ' A' ' 23' ' ' VAL . 31.4 ttt180 -60.06 -43.07 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.736 0.303 . . . . 3.3100000000000001 111.376 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 20.0 mt-10 -75.73 -21.65 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.263 0.468 . . . . 1.45 112.263 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.632 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -89.03 -28.56 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.225 -0.59 . . . . 0.97999999999999998 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 20' ' ' VAL . 72.4 t -73.7 -43.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.823 -0.436 . . . . 0.35999999999999999 109.823 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.6 mt-10 -64.69 -29.31 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 1.5900000000000001 109.898 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.45 60.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.781 . . . . 0.52000000000000002 110.692 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.84 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.37 111.752 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.738 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.6 ptp -70.45 -11.26 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.277 -0.42 . . . . 0.39000000000000001 110.81 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.86 15.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.084 0.469 . . . . 0.53000000000000003 110.368 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.45 -51.58 34.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.839 0.828 . . . . 1.3600000000000001 110.52 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.6 mt -82.41 -13.35 56.95 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.649 -1.159 . . . . 1.8799999999999999 111.78 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.51 67.18 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.815 0.817 . . . . 2.0099999999999998 109.532 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.3 t80 -69.38 138.91 54.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.293 -1.321 . . . . 1.1599999999999999 111.992 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -109.11 107.06 59.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.671 -0.695 . . . . 1.1599999999999999 110.902 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.33 103.75 1.14 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.643 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -74.56 111.96 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.393 0.516 . . . . 0.54000000000000004 112.393 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -84.11 -21.94 31.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.73 -37.51 70.58 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.429 -0.952 . . . . 0.82999999999999996 108.429 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -70.95 -30.97 67.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.997 -1.001 . . . . 0.45000000000000001 109.185 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.48 -36.13 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.508 -0.769 . . . . 1.21 109.743 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.67 -30.65 71.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.393 0.616 . . . . 2.0099999999999998 109.486 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.81 -55.4 4.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.209 -0.905 . . . . 0.51000000000000001 110.673 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.3 68.25 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.015 -0.539 . . . . 0.48999999999999999 112.408 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 121.02 -0.609 . . . . 1.1399999999999999 112.468 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.945 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 57.5 t . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.78000000000000003 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.429 HG22 HD21 ' B' ' 50' ' ' ASN . 6.0 p -91.26 167.46 12.3 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.148 -0.478 . . . . 0.5 110.063 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.484 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -81.04 -8.1 59.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.128 -1.064 . . . . 0.65000000000000002 108.128 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.415 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 14.2 m-85 -79.81 -41.37 26.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.692 -1.595 . . . . 1.27 109.38 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.42 -37.33 87.15 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.474 -0.785 . . . . 1.3100000000000001 110.166 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' B' ' 45' ' ' LEU . 83.2 t -58.73 -39.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.39 -0.823 . . . . 0.28000000000000003 110.357 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.53 -47.78 62.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.37 111.532 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 46.5 mt-10 -57.45 -40.67 78.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 2.3399999999999999 111.767 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.4 ' CB ' HD21 ' B' ' 45' ' ' LEU . 30.7 t80 -75.36 -35.55 61.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.518 -0.31 . . . . 1.5800000000000001 111.835 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.99 -27.38 60.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.64000000000000001 111.454 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.28 35.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.58999999999999997 112.013 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.444 HG11 HG22 ' B' ' 34' ' ' THR . 30.7 m -121.33 175.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.797 -0.446 . . . . 0.5 109.797 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 90.6 p -77.37 155.49 31.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.103 -0.703 . . . . 0.64000000000000001 109.103 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.57 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -61.16 -26.68 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 1.49 110.081 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.37 -30.78 68.85 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.96999999999999997 110.515 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -61.57 -37.13 82.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.093 -0.706 . . . . 0.54000000000000004 109.093 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' CG1' ' B' ' 38' ' ' VAL . 37.0 t -72.77 -42.63 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.158 -0.928 . . . . 0.44 108.812 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 2.0 t -54.78 -38.49 67.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.471 -0.786 . . . . 1.29 110.29 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 38.5 mmt180 -62.1 -54.04 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.624 -0.716 . . . . 2.6600000000000001 110.938 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.522 HG22 HG11 ' B' ' 30' ' ' VAL . 13.7 t -61.3 -36.16 71.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.171 0.51 . . . . 0.73999999999999999 110.411 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.41 HG21 HD12 ' B' ' 6' ' ' LEU . 3.5 t -67.8 -36.65 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.89000000000000001 111.054 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 1.6799999999999999 110.868 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.663 0.268 . . . . 1.3100000000000001 110.844 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.522 HG11 HG22 ' B' ' 23' ' ' VAL . 13.1 t -131.95 104.96 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 1.22 110.115 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 154.38 35.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 1.4199999999999999 110.393 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.29 -41.39 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.234 0.334 . . . . 1.0700000000000001 111.719 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 45.3 mtmt -58.14 -52.62 64.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.15 -0.477 . . . . 3.2999999999999998 110.58 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.444 HG22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.79000000000000004 111.088 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 3.21 110.476 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.34 -38.86 91.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.5 -0.773 . . . . 2.0899999999999999 111.252 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 98.6 mttt -60.86 -46.25 91.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.6599999999999999 110.38 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.437 ' CG1' HG13 ' B' ' 20' ' ' VAL . 95.2 t -64.52 -51.22 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.653 -0.703 . . . . 0.42999999999999999 110.717 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.2 -43.38 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 1.79 111.125 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.15 89.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.69999999999999996 110.983 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.19 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.46999999999999997 110.627 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.2 mtt -63.91 -24.02 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 109.757 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.0 -37.13 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.62 110.26 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.39 -47.91 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.982 -0.553 . . . . 1.55 110.643 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.1 OUTLIER -78.6 -22.2 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.532 -0.758 . . . . 0.98999999999999999 111.796 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 68.97 54.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.72 -1.585 . . . . 1.77 106.72 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.945 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -52.66 108.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.65 -1.613 . . . . 1.3300000000000001 113.211 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mm -110.53 96.19 26.41 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.255 -1.387 . . . . 1.28 107.255 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -30.86 130.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.042 3.828 . . . . 0.82999999999999996 115.255 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.429 HD21 HG22 ' B' ' 5' ' ' THR . 5.6 m-20 -72.43 66.45 0.68 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 114.856 -1.066 . . . . 1.6399999999999999 109.833 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -42.76 -43.46 3.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.646 0.98 . . . . 4.7599999999999998 113.646 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 63.2 m -58.77 -54.78 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 0.69999999999999996 112.063 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.4 -27.64 41.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.54000000000000004 111.954 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.63 -46.26 54.93 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.89 0.33 . . . . 1.49 111.89 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.05 -28.43 66.54 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.589 -0.523 . . . . 2.52 109.589 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 12.1 tp -70.63 -70.6 0.29 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.57999999999999996 109.788 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 114.97 -1.014 . . . . 1.02 112.763 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.463 -0.301 0 CA-C-O 120.854 0.273 . . . . 1.3 112.225 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.719 HG11 ' HG ' ' A' ' 45' ' ' LEU . 87.2 t -90.88 134.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.944 -0.762 . . . . 0.54000000000000004 108.944 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.02 171.75 7.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.743 0.306 . . . . 0.40999999999999998 110.957 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.0 pt? -65.63 -17.11 64.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.28999999999999998 110.524 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.24 -33.9 61.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.48999999999999999 109.309 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.35 -40.32 81.58 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.489 -0.778 . . . . 1.75 109.65 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.81 -44.15 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.22 110.165 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.87 79.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.939 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.62 -27.23 51.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.363 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.7 t80 -77.41 -36.93 52.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 1.49 110.435 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -89.52 -17.13 29.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.46000000000000002 111.729 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.65 39.88 16.61 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 110.991 -0.843 . . . . 0.52000000000000002 110.991 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG21 HG22 ' A' ' 38' ' ' VAL . 22.8 m -131.21 -172.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.153 -0.524 . . . . 0.35999999999999999 109.625 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.9 p -96.68 158.07 15.6 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.238 -0.653 . . . . 1.26 109.238 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.681 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 51.5 p90 -62.7 -25.58 68.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.279 -0.638 . . . . 1.3200000000000001 109.279 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.2 -35.22 79.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.175 -0.921 . . . . 1.0900000000000001 109.328 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -67.79 -41.26 83.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.738 -0.665 . . . . 0.48999999999999999 109.558 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.594 ' HA ' HG11 ' A' ' 38' ' ' VAL . 92.4 t -60.0 -53.62 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.467 -0.788 . . . . 0.25 110.062 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 t -62.09 -29.89 70.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.388 -0.369 . . . . 0.87 110.344 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -59.42 -27.09 65.73 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.581 -0.736 . . . . 2.0299999999999998 111.277 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG22 HG11 ' A' ' 30' ' ' VAL . 21.6 t -102.61 -48.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.393 -0.367 . . . . 0.44 111.347 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 20' ' ' VAL . 42.9 t -55.6 -51.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.771 1.026 . . . . 0.40999999999999998 113.771 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -130.76 22.37 5.02 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.625 0.972 . . . . 1.72 113.625 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' OE1' ' HD2' ' A' ' 22' ' ' ARG . 66.0 mt-30 -129.1 -53.38 1.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.712 -0.795 . . . . 4.8799999999999999 112.074 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.4 38.93 12.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.546 0.689 . . . . 2.27 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.4 t -155.17 158.01 38.29 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.971 -1.013 . . . . 1.52 108.297 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 64.5 28.63 13.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.813 0.279 . . . . 0.76000000000000001 110.959 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -125.43 126.82 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.71 -0.478 . . . . 1.1599999999999999 109.71 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.008 -0.542 . . . . 1.3 111.573 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.24 -62.02 0.06 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.723 0.268 . . . . 1.0600000000000001 111.723 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -54.97 -42.66 72.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.92 0.391 . . . . 3.3900000000000001 110.796 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.6 -42.25 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.65000000000000002 111.229 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -64.75 -41.2 96.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.427 . . . . 3.3100000000000001 110.487 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.33 -21.51 62.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 1.45 112.375 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 16.8 ptpt -93.18 -27.57 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.795 -0.362 . . . . 0.97999999999999998 110.63 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.4 t -75.34 -45.87 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.35999999999999999 110.782 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.67 -20.35 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 1.5900000000000001 110.42 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -85.04 -42.32 14.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.772 -0.649 . . . . 0.52000000000000002 110.07 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.43 -43.3 90.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.851 -0.613 . . . . 0.37 111.654 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.711 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -66.37 -10.01 39.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.39000000000000001 111.604 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.62 -11.73 21.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.211 0.529 . . . . 0.53000000000000003 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 8.1 mm-40 -84.8 -59.54 2.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.672 -0.695 . . . . 1.3600000000000001 110.771 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.62 1.35 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.295 -0.866 . . . . 1.8799999999999999 112.03 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.48 70.6 0.52 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.443 0.64 . . . . 2.0099999999999998 111.147 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.711 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 8.6 t80 -76.82 131.15 38.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.703 -0.68 . . . . 1.1599999999999999 110.656 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.41 106.37 57.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.683 -0.689 . . . . 1.1599999999999999 110.992 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.68 116.94 3.96 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.374 2.049 . . . . 0.55000000000000004 110.285 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -83.64 113.3 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.114 0.483 . . . . 0.54000000000000004 111.988 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 38.1 mtm180 -73.65 -30.23 62.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 5.04 110.821 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.673 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -69.87 -41.06 75.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.82999999999999996 110.263 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.95 -32.76 74.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.914 -0.585 . . . . 0.45000000000000001 109.536 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -64.9 -40.27 94.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 1.21 110.292 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 92.6 mt-30 -66.47 -45.37 79.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 2.0099999999999998 110.366 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.43 -50.57 67.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.484 -0.78 . . . . 0.51000000000000001 111.317 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -26.65 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.717 -0.674 . . . . 0.48999999999999999 112.117 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.048 -0.596 . . . . 1.1399999999999999 112.515 -179.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 61.7 t . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.813 -0.44 . . . . 0.78000000000000003 109.813 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.455 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 24.0 p -93.03 176.68 6.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.27 -0.423 . . . . 0.5 109.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.562 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -79.9 -10.25 59.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.714 -1.217 . . . . 0.65000000000000002 107.714 179.191 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.455 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 18.6 m-85 -78.59 -40.11 35.55 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.696 -1.593 . . . . 1.27 109.75 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.16 -37.27 85.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.764 -0.653 . . . . 1.3100000000000001 110.015 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.37 -36.78 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.91 . . . . 0.28000000000000003 110.567 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.43 -55.02 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.37 111.726 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.611 . . . . 2.3399999999999999 111.622 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.497 ' CD1' HD21 ' B' ' 45' ' ' LEU . 68.3 t80 -67.58 -44.88 77.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 1.5800000000000001 111.025 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.54 -18.21 59.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.129 0.49 . . . . 0.64000000000000001 111.707 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.97 14.45 67.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.95 -0.643 . . . . 0.58999999999999997 112.333 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.08 176.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.671 -0.492 . . . . 0.5 109.671 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 83.4 p -78.29 157.05 29.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.502 -0.925 . . . . 0.64000000000000001 108.502 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.725 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -68.37 -15.86 63.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.505 0.669 . . . . 1.49 109.852 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.3 OUTLIER -78.39 -27.54 46.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.246 -0.888 . . . . 0.96999999999999997 109.469 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -62.85 -30.67 71.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.691 -0.855 . . . . 0.54000000000000004 108.691 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' B' ' 38' ' ' VAL . 3.4 t -70.24 -50.68 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.029 -0.987 . . . . 0.44 109.109 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -48.08 -36.42 13.08 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.004 0.521 . . . . 1.29 111.768 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 40.8 mmt180 -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.183 -0.462 . . . . 2.6600000000000001 111.398 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.69 -36.35 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.73999999999999999 111.328 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.62 -38.65 82.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.825 -0.625 . . . . 0.89000000000000001 111.821 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.639 0.733 . . . . 1.6799999999999999 111.236 -179.388 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 120.977 0.417 . . . . 1.3100000000000001 110.28 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.26 123.51 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.937 -0.574 . . . . 1.22 110.367 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -73.34 153.59 40.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.851 -0.613 . . . . 1.4199999999999999 109.657 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.495 ' HA ' ' HD2' ' B' ' 35' ' ' ARG . . . -50.82 -44.75 59.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.786 0.291 . . . . 1.0700000000000001 111.786 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.9 -45.59 91.81 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.057 0.456 . . . . 3.2999999999999998 111.247 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -40.14 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.043 -0.526 . . . . 0.79000000000000004 111.738 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.495 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 50.5 mtt180 -54.08 -54.44 39.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.181 0.515 . . . . 3.21 110.691 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.82 -41.17 95.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.325 -0.852 . . . . 2.0899999999999999 111.332 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.618 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 23.8 ttmm -58.2 -46.67 85.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.646 . . . . 1.6599999999999999 111.615 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' B' ' 20' ' ' VAL . 53.4 t -70.55 -46.94 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.42 -0.355 . . . . 0.42999999999999999 111.248 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.75 -42.26 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 1.79 110.906 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.14 -34.06 75.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.518 -0.31 . . . . 0.69999999999999996 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.13 73.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.46999999999999997 110.448 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 54.1 mtt -67.26 -19.49 65.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.564 . . . . 0.52000000000000002 110.44 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.58 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.62 110.787 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 76.8 mm-40 -64.1 -55.61 20.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.335 0.588 . . . . 1.55 110.722 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.3 OUTLIER -84.51 -10.25 57.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.474 -0.785 . . . . 0.98999999999999999 111.208 -179.249 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 t30 61.65 63.32 1.17 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.446 -0.946 . . . . 1.77 108.446 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.598 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -59.09 117.63 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.535 -1.212 . . . . 1.3300000000000001 112.188 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.5 mt -118.15 101.14 51.71 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 107.471 -1.307 . . . . 1.28 107.471 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.29 134.54 8.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.801 3.001 . . . . 0.82999999999999996 114.018 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 88.3 m-20 -60.14 99.71 0.08 Allowed 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.777 -0.647 . . . . 1.6399999999999999 109.773 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.605 ' HD3' ' H ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -51.59 -38.05 52.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.974 0.361 . . . . 4.7599999999999998 111.974 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.673 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 57.9 m -75.3 -54.18 7.51 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.727 0.64 . . . . 0.69999999999999996 112.727 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -38.28 63.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.526 0.936 . . . . 0.54000000000000004 113.526 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 5.4 mm-40 -67.13 -52.73 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.816 0.302 . . . . 1.49 111.816 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.3 -35.98 74.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.32 0.581 . . . . 2.52 110.256 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 11.7 tp -64.88 -67.35 0.44 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.155 -0.93 . . . . 0.57999999999999996 110.702 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 1.02 113.808 -178.189 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.461 -0.413 0 CA-C-O 121.217 0.424 . . . . 1.3 111.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.104 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.1 t -70.55 144.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.726 -0.67 . . . . 0.54000000000000004 110.115 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.62 165.15 11.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.165 -0.471 . . . . 0.40999999999999998 110.229 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.912 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -64.26 -16.78 62.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.28999999999999998 111.238 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -77.58 -36.4 52.05 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.48999999999999999 109.956 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -34.89 67.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.75 110.34 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.17 -41.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.478 0.656 . . . . 0.22 109.432 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.47 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.937 -1.028 . . . . 0.29999999999999999 111.308 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -35.58 80.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.795 -0.639 . . . . 2.21 111.616 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.6 t80 -79.49 -34.42 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.53 -0.304 . . . . 1.49 111.479 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.24 -16.89 44.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.621 0.248 . . . . 0.46000000000000002 111.172 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.94 30.11 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.977 -0.849 . . . . 0.52000000000000002 110.977 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -129.29 -165.54 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.062 -0.569 . . . . 0.35999999999999999 109.813 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -110.35 152.45 26.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.878 -0.601 . . . . 1.26 109.394 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.912 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 43.9 p90 -55.13 -25.54 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.961 0.41 . . . . 1.3200000000000001 110.939 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.6 tp60 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 1.0900000000000001 109.626 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.6 m -65.82 -47.06 76.3 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.48999999999999999 109.594 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.655 ' HA ' HG11 ' A' ' 38' ' ' VAL . 98.7 t -54.91 -50.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.145 -0.934 . . . . 0.25 111.134 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.7 t -60.54 -36.44 78.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.439 -0.346 . . . . 0.87 111.516 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 88.1 mtt-85 -68.85 -27.37 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.727 0.299 . . . . 2.0299999999999998 110.586 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 19' ' ' THR . 65.2 t -83.26 -50.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.44 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' VAL . 68.9 t -58.81 -45.63 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.416 -0.811 . . . . 0.40999999999999998 112.102 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -88.6 -3.64 58.75 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.898 0.333 . . . . 1.72 111.898 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 55.92 65.54 1.42 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.3 0.572 . . . . 4.8799999999999999 109.983 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.82 -153.07 0.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.721 -0.672 . . . . 2.27 111.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 1.9 p -99.48 175.82 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 1.52 110.324 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.507 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 62.23 39.71 12.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.825 0.45 . . . . 0.76000000000000001 111.538 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -130.14 124.97 59.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 120.805 0.336 . . . . 1.1599999999999999 111.239 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -99.52 148.65 24.04 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.487 -0.561 . . . . 1.3 109.487 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.19 -26.34 66.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 1.0600000000000001 111.972 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -61.13 -43.84 98.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.929 0.395 . . . . 3.3900000000000001 111.067 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -91.84 -28.83 17.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.65000000000000002 111.293 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -56.1 -42.99 77.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 3.3100000000000001 110.974 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 37.5 mt-10 -69.06 -41.08 78.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.419 0.526 . . . . 1.45 112.419 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 19.2 ptpt -68.61 -31.96 71.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.97999999999999998 110.809 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HA ' ' A' ' 20' ' ' VAL . 92.0 t -74.13 -42.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.25 -0.432 . . . . 0.35999999999999999 109.998 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 35.8 mt-10 -65.23 -27.83 68.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.184 0.516 . . . . 1.5900000000000001 109.898 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -81.92 -39.65 23.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.649 -0.705 . . . . 0.52000000000000002 110.441 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.75 91.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.037 0.446 . . . . 0.37 110.997 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.793 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -72.89 -6.23 43.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.39000000000000001 110.738 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.212 0.529 . . . . 0.53000000000000003 109.909 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.6 mm-40 -72.21 -61.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 1.3600000000000001 110.109 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -13.95 60.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.411 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.5 62.27 0.28 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.573 0.701 . . . . 2.0099999999999998 109.438 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.104 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.1 t80 -64.39 138.06 58.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.573 -1.194 . . . . 1.1599999999999999 111.599 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.33 104.44 53.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.1599999999999999 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.53 115.77 2.89 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.805 2.337 . . . . 0.55000000000000004 111.221 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -83.17 98.77 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.54000000000000004 111.563 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -73.85 -15.58 61.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.654 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -77.91 -41.21 37.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.037 -0.727 . . . . 0.82999999999999996 109.037 179.347 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -69.07 -28.15 66.27 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.361 -0.836 . . . . 0.45000000000000001 109.282 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -37.01 80.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.222 -0.899 . . . . 1.21 110.006 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -71.06 -24.87 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 2.0099999999999998 110.149 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -82.28 -54.95 4.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.87 -0.605 . . . . 0.51000000000000001 110.307 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.42 87.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.729 -0.669 . . . . 0.48999999999999999 110.599 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-N 115.791 -0.64 . . . . 1.1399999999999999 111.708 179.328 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 84.6 t . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.524 -0.546 . . . . 0.78000000000000003 109.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 19.0 p -91.13 173.67 7.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.947 -0.57 . . . . 0.5 110.2 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.523 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -76.2 -11.39 59.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.58 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 31.8 m-85 -75.71 -43.86 45.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.081 -1.418 . . . . 1.27 109.414 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.91 -40.35 95.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.875 -0.602 . . . . 1.3100000000000001 110.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' B' ' 45' ' ' LEU . 55.7 t -58.65 -43.31 87.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.23 -0.896 . . . . 0.28000000000000003 110.577 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.45 -46.44 76.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.37 112.226 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 5.2 mm-40 -57.86 -40.74 80.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 2.3399999999999999 111.7 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.548 ' CB ' HD21 ' B' ' 45' ' ' LEU . 57.2 t80 -71.33 -41.38 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.5800000000000001 111.06 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -70.37 -21.37 62.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.606 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.22 62.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.633 . . . . 0.58999999999999997 112.295 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.427 HG11 HG22 ' B' ' 34' ' ' THR . 27.0 m -115.43 174.22 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.5 110.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 154.27 40.47 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.775 -0.824 . . . . 0.64000000000000001 108.775 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.63 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.73 -25.96 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 1.49 110.337 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.82 -20.58 56.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.873 -0.603 . . . . 0.96999999999999997 110.508 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -64.53 -29.56 70.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.921 -0.77 . . . . 0.54000000000000004 108.921 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.402 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.8 t -69.65 -46.38 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.323 -0.992 . . . . 0.44 108.323 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -52.89 -34.55 55.38 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.076 0.465 . . . . 1.29 110.31 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 22' ' ' ARG . 6.1 mtp85 -64.59 -56.09 16.15 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.679 -0.692 . . . . 2.6600000000000001 110.619 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.541 HG22 HG11 ' B' ' 30' ' ' VAL . 97.4 t -58.73 -32.07 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.73999999999999999 110.816 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.83 -38.22 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.593 -0.73 . . . . 0.89000000000000001 112.034 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.331 -0.21 0 N-CA-C 112.879 0.696 . . . . 1.6799999999999999 112.879 -178.483 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 1.3100000000000001 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.541 HG11 HG22 ' B' ' 23' ' ' VAL . 41.9 t -122.21 113.67 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.672 -0.492 . . . . 1.22 109.672 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 161.56 21.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.4199999999999999 110.562 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -43.68 75.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 1.0700000000000001 110.568 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 20.4 ttpt -49.56 -55.83 12.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.606 -0.725 . . . . 3.2999999999999998 111.709 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.427 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -73.2 -37.27 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.18 0.437 . . . . 0.79000000000000004 112.18 -178.522 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -59.92 -45.56 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.567 -0.288 . . . . 3.21 111.033 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.31 -33.29 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.0899999999999999 110.801 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 65.7 mttm -62.41 -48.67 78.68 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.324 -0.398 . . . . 1.6599999999999999 110.561 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' B' ' 42' ' ' MET . 59.0 t -66.3 -48.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.656 -0.702 . . . . 0.42999999999999999 110.901 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.83 -45.21 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.895 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.634 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.63 -43.62 88.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.69999999999999996 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.75 -33.11 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.46999999999999997 111.676 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 61.4 mtt -62.57 -19.98 64.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.404 -0.362 . . . . 0.52000000000000002 111.078 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.95 -29.04 11.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.62 110.911 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 6.2 mm-40 -70.32 -43.42 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.822 0.344 . . . . 1.55 110.289 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.559 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -88.37 -18.35 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.98999999999999999 110.369 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 61.0 t30 68.21 58.66 0.44 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 107.039 -1.467 . . . . 1.77 107.039 -176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.643 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -55.13 117.34 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 113.969 -1.469 . . . . 1.3300000000000001 113.091 -177.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -124.16 92.59 48.05 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 107.6 -1.259 . . . . 1.28 107.6 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.35 129.66 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.785 2.99 . . . . 0.82999999999999996 113.545 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -54.74 99.73 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.784 -0.644 . . . . 1.6399999999999999 109.979 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -54.02 -36.24 62.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.938 0.399 . . . . 4.7599999999999998 111.153 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.7 m -76.92 -54.53 6.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.759 0.651 . . . . 0.69999999999999996 112.759 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.86 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.318 0.858 . . . . 0.54000000000000004 113.318 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 8.6 mm-40 -72.41 -47.99 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.635 0.606 . . . . 1.49 112.635 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.24 -33.36 75.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.291 0.567 . . . . 2.52 109.685 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' A' ' 53' ' ' ALA . 13.9 tp -66.65 -61.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.136 -0.938 . . . . 0.57999999999999996 110.234 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.143 -0.935 . . . . 1.02 112.868 -178.43 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.883 0.285 . . . . 1.3 112.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.687 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.5 t -75.33 131.49 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.596 -0.52 . . . . 0.54000000000000004 109.596 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.82 170.55 7.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.033 -0.53 . . . . 0.40999999999999998 110.11 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.68 -15.55 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.28999999999999998 110.141 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -76.86 -35.16 57.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.48999999999999999 109.52 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.95 -38.11 85.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.951 -0.568 . . . . 1.75 110.217 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 t -69.5 -42.81 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.605 -0.725 . . . . 0.22 109.587 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.96 79.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.034 -0.985 . . . . 0.29999999999999999 111.092 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.1 -39.76 75.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.131 -0.486 . . . . 2.21 111.707 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -74.33 -34.98 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 1.49 111.473 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.9 -16.14 39.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.46000000000000002 111.676 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.18 38.05 30.68 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.885 -0.886 . . . . 0.52000000000000002 110.885 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -130.79 -165.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.305 -0.448 . . . . 0.35999999999999999 110.031 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -106.43 157.03 17.93 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.266 -0.642 . . . . 1.26 109.266 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.862 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.8 p90 -59.75 -31.11 69.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.089 0.471 . . . . 1.3200000000000001 110.024 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.74 -35.45 80.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.536 -0.756 . . . . 1.0900000000000001 109.6 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.9 m -65.76 -48.64 71.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.759 -0.83 . . . . 0.48999999999999999 108.759 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.9 t -58.62 -48.99 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.23 -0.895 . . . . 0.25 110.696 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 6' ' ' LEU . 22.9 t -58.59 -39.1 79.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.87 111.368 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HD2' HH11 ' A' ' 22' ' ' ARG . 59.5 mtt180 -68.34 -24.84 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 2.0299999999999998 110.561 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.647 HG13 ' HG3' ' A' ' 35' ' ' ARG . 83.9 t -81.4 -44.75 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.213 0.53 . . . . 0.44 109.864 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.9 t -62.78 -44.48 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.269 -0.878 . . . . 0.40999999999999998 110.6 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.91 -11.16 59.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.323 -0.399 . . . . 1.72 111.293 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 62.17 63.4 1.08 Allowed 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.71 0.631 . . . . 4.8799999999999999 110.953 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 -166.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.73 -0.668 . . . . 2.27 110.834 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -92.24 -161.87 0.87 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.962 -0.563 . . . . 1.52 110.652 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.99 -60.52 0.4 Allowed 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.456 0.702 . . . . 0.76000000000000001 112.608 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 22' ' ' ARG . 97.2 t -64.58 117.36 5.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.355 0.597 . . . . 1.1599999999999999 111.239 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.86 168.86 19.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.144 -0.935 . . . . 1.3 110.964 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.87 -39.28 88.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.587 0.217 . . . . 1.0600000000000001 111.587 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -52.91 -48.21 67.39 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.987 0.422 . . . . 3.3900000000000001 111.345 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -82.86 -28.07 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.65000000000000002 111.548 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.647 ' HG3' HG13 ' A' ' 23' ' ' VAL . 13.1 ttm180 -66.31 -46.3 77.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.957 0.408 . . . . 3.3100000000000001 111.307 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 59.2 mt-10 -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.78 -0.646 . . . . 1.45 112.352 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.7 ptpt -81.79 -28.53 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.158 -0.617 . . . . 0.97999999999999998 109.93 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' THR . 76.5 t -73.01 -44.55 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.35999999999999999 109.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.94 -32.52 73.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.574 -0.739 . . . . 1.5900000000000001 110.114 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.2 -35.08 42.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 0.52000000000000002 111.049 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.15 74.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.842 0.353 . . . . 0.37 110.994 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.815 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.7 ptp -71.66 -10.72 60.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.39000000000000001 110.687 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.77 -22.68 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.53000000000000003 109.666 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 80.0 mm-40 -80.79 -51.12 8.99 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.034 -0.985 . . . . 1.3600000000000001 110.606 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.54 6.95 31.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.185 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 p30 47.27 46.73 16.8 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.779 0.8 . . . . 2.0099999999999998 111.136 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.815 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 7.7 t80 -52.15 126.8 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.642 -1.163 . . . . 1.1599999999999999 112.123 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -103.52 109.65 62.33 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 110.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.07 106.45 1.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.982 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -68.74 105.79 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.54000000000000004 111.502 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 39.0 ptt180 -73.15 -22.84 60.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.521 -0.763 . . . . 5.04 110.618 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -72.09 -40.65 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.298 0.57 . . . . 0.82999999999999996 110.114 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.538 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -68.76 -31.06 69.83 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.457 -0.792 . . . . 0.45000000000000001 109.289 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.45 -40.53 85.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.023 -0.989 . . . . 1.21 110.018 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 89.4 mt-30 -62.74 -41.91 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 2.0099999999999998 109.862 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.91 -52.3 37.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.491 -0.777 . . . . 0.51000000000000001 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.31 68.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.684 . . . . 0.48999999999999999 110.784 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.921 -0.581 . . . . 1.1399999999999999 111.953 178.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 46.3 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 110.458 -0.201 . . . . 0.78000000000000003 110.458 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.567 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.9 p -95.46 170.95 9.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.254 -0.43 . . . . 0.5 110.183 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.608 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -79.61 -6.16 56.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.884 -1.154 . . . . 0.65000000000000002 107.884 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.433 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 20.8 m-85 -82.1 -40.01 22.53 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.937 -1.483 . . . . 1.27 109.956 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.55 -39.22 93.36 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.029 -0.532 . . . . 1.3100000000000001 110.335 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.452 ' HA ' HD23 ' B' ' 45' ' ' LEU . 40.0 t -59.21 -38.75 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 110.368 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -71.78 -53.52 13.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.283 -0.871 . . . . 0.37 112.531 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.09 -31.38 67.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.507 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.429 ' CB ' HD21 ' B' ' 45' ' ' LEU . 55.1 t80 -76.41 -48.73 18.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.396 -0.365 . . . . 1.5800000000000001 110.832 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -67.52 -25.11 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.64000000000000001 111.987 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.22 6.18 61.69 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.935 -0.65 . . . . 0.58999999999999997 112.374 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 36.0 m -103.05 170.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.126 -0.324 . . . . 0.5 110.126 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.86 148.32 44.55 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.14 -1.059 . . . . 0.64000000000000001 108.14 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.726 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -61.37 -23.29 65.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.205 0.526 . . . . 1.49 110.453 -178.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.83 -28.09 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.96999999999999997 110.339 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.475 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 29.7 m -67.52 -31.51 71.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.65 -0.87 . . . . 0.54000000000000004 108.65 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.476 HG13 ' CG1' ' B' ' 38' ' ' VAL . 16.2 t -73.98 -46.02 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.44 109.407 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.446 ' N ' HD11 ' B' ' 6' ' ' LEU . 7.8 p -58.68 -32.58 69.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.149 0.5 . . . . 1.29 110.037 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 24.5 mtm180 -74.19 -47.74 33.67 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.489 -0.778 . . . . 2.6600000000000001 110.155 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.519 HG22 HG11 ' B' ' 30' ' ' VAL . 21.8 t -57.43 -35.84 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.556 0.693 . . . . 0.73999999999999999 109.828 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.45 -33.77 46.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 111.675 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 112.888 0.699 . . . . 1.6799999999999999 112.888 -178.367 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.502 0.191 . . . . 1.3100000000000001 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.519 HG11 HG22 ' B' ' 23' ' ' VAL . 45.5 t -127.58 107.89 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.33 . . . . 1.22 110.268 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -70.76 163.53 27.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.241 -0.436 . . . . 1.4199999999999999 110.932 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 1.0700000000000001 111.535 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 39.1 mmtm -58.1 -54.07 51.16 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.403 -0.362 . . . . 3.2999999999999998 111.494 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -68.32 -35.21 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.79000000000000004 111.029 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.89 -51.47 69.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 3.21 110.173 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.866 -0.606 . . . . 2.0899999999999999 110.67 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.488 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.0 tppp? -60.34 -44.54 95.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 1.6599999999999999 110.051 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.9 t -73.22 -46.91 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.43 -0.804 . . . . 0.42999999999999999 111.06 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -36.05 78.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.327 -0.397 . . . . 1.79 111.438 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.45 -41.53 93.32 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.628 -0.508 . . . . 0.69999999999999996 109.628 178.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.46999999999999997 110.4 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.58 -23.78 64.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.034 -0.53 . . . . 0.52000000000000002 110.413 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -29.27 13.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.052 -0.522 . . . . 0.62 110.763 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 14.8 mm-40 -70.77 -52.24 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.129 0.49 . . . . 1.55 110.392 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.572 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -80.34 -19.79 45.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.866 -0.606 . . . . 0.98999999999999999 110.075 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.454 ' O ' HG12 ' B' ' 48' ' ' ILE . 14.3 t-20 69.12 57.94 0.37 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.263 -1.384 . . . . 1.77 107.263 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.761 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -52.51 121.37 6.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.794 -1.548 . . . . 1.3300000000000001 112.741 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.0 mm -122.33 96.23 46.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 114.892 -1.049 . . . . 1.28 108.622 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -35.2 123.05 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.178 3.252 . . . . 0.82999999999999996 113.929 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.567 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.6 m-20 -55.49 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.49 -0.777 . . . . 1.6399999999999999 111.191 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -58.47 -40.07 81.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.807 0.299 . . . . 4.7599999999999998 111.807 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.1 m -73.75 -58.38 3.35 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.752 0.649 . . . . 0.69999999999999996 112.752 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -37.8 83.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.467 0.914 . . . . 0.54000000000000004 113.467 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 47.1 mt-30 -69.46 -51.21 38.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.611 -0.436 . . . . 1.49 111.432 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -55.91 -36.93 68.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.411 0.624 . . . . 2.52 109.856 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.8 tp -67.65 -58.03 5.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.81 -1.086 . . . . 0.57999999999999996 110.89 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 114.022 1.119 . . . . 1.02 114.022 -177.413 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo . . . . . 0 C--O 1.235 0.359 0 N-CA-C 111.091 -0.388 . . . . 1.3 111.091 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 92.6 t -80.14 134.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.995 -0.548 . . . . 0.54000000000000004 110.25 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.43 176.58 5.07 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.731 -0.668 . . . . 0.40999999999999998 110.678 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.971 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -68.16 -15.22 63.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.28999999999999998 110.391 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -76.41 -35.73 58.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.228 -0.656 . . . . 0.48999999999999999 109.228 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.0 m-20 -66.12 -43.68 86.44 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.738 -0.665 . . . . 1.75 110.017 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.24 -39.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.425 -0.807 . . . . 0.22 110.0 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.37 92.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.289 -0.869 . . . . 0.29999999999999999 110.406 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.87 -25.27 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 2.21 111.118 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.488 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 5.8 t80 -79.15 -38.68 35.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 1.49 110.749 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.91 -18.78 25.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.515 -0.311 . . . . 0.46000000000000002 111.659 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 35.26 12.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.52000000000000002 111.846 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.1 -166.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.486 -0.357 . . . . 0.35999999999999999 110.695 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -100.44 156.72 17.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.26 -0.644 . . . . 1.26 109.26 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.971 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 50.2 p90 -59.79 -31.92 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.284 0.564 . . . . 1.3200000000000001 110.421 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -38.49 87.76 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.632 -0.713 . . . . 1.0900000000000001 110.311 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.684 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.9 m -65.68 -41.17 92.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.519 -0.549 . . . . 0.48999999999999999 109.519 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.9 t -58.93 -52.61 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.806 -0.634 . . . . 0.25 110.389 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.0 t -60.49 -35.42 75.87 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.87 110.529 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.803 ' HB3' HG22 ' A' ' 30' ' ' VAL . 22.5 mtm180 -64.75 -31.69 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 2.0299999999999998 110.596 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.0 t -81.04 -43.25 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.44 110.06 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG21 ' HE2' ' A' ' 47' ' ' TYR . 59.8 t -60.15 -42.51 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.40999999999999998 110.624 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -83.64 -19.0 36.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 1.72 111.294 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 57.97 50.3 10.47 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.25 0.548 . . . . 4.8799999999999999 110.28 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -159.06 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.257 -0.883 . . . . 2.27 111.188 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -83.42 170.46 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 1.52 110.28 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.33 31.33 19.31 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.194 0.598 . . . . 0.76000000000000001 111.285 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 22' ' ' ARG . 5.0 t -120.66 103.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 1.1599999999999999 111.4 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -74.99 155.82 36.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.847 -0.615 . . . . 1.3 110.261 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -68.86 -27.06 65.48 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.791 -0.448 . . . . 1.0600000000000001 109.791 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -55.41 -50.58 69.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.375 -0.829 . . . . 3.3900000000000001 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.62 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -81.61 -33.35 31.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 110.723 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -52.96 -47.3 68.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 3.3100000000000001 111.444 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 36.8 mt-10 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.126 0.787 . . . . 1.45 113.126 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.62 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.2 ptpt -85.84 -28.3 24.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.439 -0.505 . . . . 0.97999999999999998 110.999 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.5 t -77.58 -42.36 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.35999999999999999 110.101 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 40.2 mt-10 -64.48 -30.09 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.257 0.551 . . . . 1.5900000000000001 109.661 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.19 -41.23 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 0.52000000000000002 110.679 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.87 -44.39 81.07 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.37 111.364 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.0 ptp -66.49 -13.68 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.39000000000000001 111.779 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.66 -12.03 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.273 0.559 . . . . 0.53000000000000003 110.204 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 81.7 mm-40 -86.63 -61.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.485 -0.78 . . . . 1.3600000000000001 111.392 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.623 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -78.88 -1.84 37.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.765 -0.652 . . . . 1.8799999999999999 112.644 -179.108 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 67.42 65.63 0.4 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.319 0.58 . . . . 2.0099999999999998 110.747 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.6 t80 -70.35 134.39 47.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.681 -0.69 . . . . 1.1599999999999999 111.14 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -109.47 105.58 57.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.772 -0.649 . . . . 1.1599999999999999 110.445 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.13 104.24 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.434 2.089 . . . . 0.55000000000000004 110.322 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -72.36 101.86 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.101 -0.5 . . . . 0.54000000000000004 111.376 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.24 -18.07 60.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.815 -0.63 . . . . 5.04 110.401 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.3 OUTLIER -74.45 -40.93 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.254 -0.647 . . . . 0.82999999999999996 109.254 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -68.01 -30.2 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.45000000000000001 109.193 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -69.32 -31.82 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.189 -0.914 . . . . 1.21 109.495 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -77.07 -8.26 57.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 2.0099999999999998 109.938 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.85 -42.93 5.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.51000000000000001 110.813 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.05 12.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.595 . . . . 0.48999999999999999 112.122 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.819 -0.705 . . . . 1.1399999999999999 113.315 -178.486 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.66 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.1 t . . . . . 0 CA--C 1.517 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.78000000000000003 110.124 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.501 HG22 HD21 ' B' ' 50' ' ' ASN . 18.7 p -96.65 172.67 7.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.697 -0.683 . . . . 0.5 110.646 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -79.87 -8.32 59.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.64 -1.244 . . . . 0.65000000000000002 107.64 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.46 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 24.4 m-85 -79.34 -39.04 33.7 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.612 -1.631 . . . . 1.27 109.735 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.25 -40.15 93.62 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.416 -0.811 . . . . 1.3100000000000001 110.354 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.41 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.4 t -60.7 -38.34 78.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.615 -0.721 . . . . 0.28000000000000003 110.504 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.31 -45.63 75.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.493 -0.776 . . . . 0.37 111.659 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.15 -43.91 95.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.744 -0.662 . . . . 2.3399999999999999 111.421 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.53 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.7 t80 -65.68 -41.89 91.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 1.5800000000000001 111.616 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.51 -19.21 59.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.64000000000000001 111.812 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.27 21.46 54.67 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.025 -0.607 . . . . 0.58999999999999997 112.896 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.48 179.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 110.261 -0.274 . . . . 0.5 110.261 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -78.97 158.21 28.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.444 -0.947 . . . . 0.64000000000000001 108.444 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.646 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -65.12 -20.04 66.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.088 0.47 . . . . 1.49 110.798 -179.424 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 10.6 mt-30 -81.81 -20.68 38.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.96999999999999997 110.514 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 23' ' ' VAL . 7.9 m -64.16 -33.9 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.788 -1.189 . . . . 0.54000000000000004 107.788 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.436 HG13 ' CG1' ' B' ' 38' ' ' VAL . 39.8 t -76.99 -39.97 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 114.181 -1.372 . . . . 0.44 108.65 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 6.7 t -55.89 -40.06 72.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.47 -0.786 . . . . 1.29 110.619 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 37.9 mmt180 -65.45 -41.72 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.574 . . . . 2.6600000000000001 110.665 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.699 HG22 HG11 ' B' ' 30' ' ' VAL . 46.1 t -70.55 -39.21 75.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.008 -0.542 . . . . 0.73999999999999999 110.407 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.416 HG21 HD12 ' B' ' 6' ' ' LEU . 9.8 t -65.66 -39.96 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.697 -0.683 . . . . 0.89000000000000001 110.807 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.912 0.386 . . . . 1.6799999999999999 110.059 179.552 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.841 0.353 . . . . 1.3100000000000001 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.699 HG11 HG22 ' B' ' 23' ' ' VAL . 6.4 t -127.75 124.68 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.661 -0.496 . . . . 1.22 109.661 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.81 164.44 21.65 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.883 -0.414 . . . . 1.4199999999999999 109.883 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.65 92.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.399 . . . . 1.0700000000000001 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -60.78 -45.41 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.689 -0.687 . . . . 3.2999999999999998 111.672 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -43.41 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.086 0.402 . . . . 0.79000000000000004 112.086 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.68 -38.64 82.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.842 0.353 . . . . 3.21 110.703 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.16 -41.75 63.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 2.0899999999999999 110.602 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.4 ttpt -65.5 -44.48 86.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 1.6599999999999999 111.65 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.436 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.5 t -64.74 -51.61 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.376 . . . . 0.42999999999999999 111.774 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.37 -32.84 73.7 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.199 -0.2 . . . . 1.79 111.395 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.35 -36.17 66.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.69999999999999996 110.427 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.94 -29.07 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.46999999999999997 110.643 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.62 -21.75 63.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.718 -0.674 . . . . 0.52000000000000002 111.157 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.43 18.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.62 110.961 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.82 -49.03 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 1.55 110.902 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 1.1 mm? -83.36 -14.55 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.98999999999999999 110.322 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 48' ' ' ILE . 55.2 t30 68.06 55.57 0.55 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.308 -1.367 . . . . 1.77 107.308 -176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.66 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -57.01 116.89 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.015 -1.448 . . . . 1.3300000000000001 112.655 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 46' ' ' ASN . 66.1 mt -126.27 94.08 41.86 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 114.402 -1.272 . . . . 1.28 107.84 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -32.03 127.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 124.697 3.598 . . . . 0.82999999999999996 114.973 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -52.56 99.55 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.086 0.866 . . . . 1.6399999999999999 110.095 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.88 -28.99 69.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.939 0.399 . . . . 4.7599999999999998 111.252 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.9 m -83.04 -58.42 2.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.086 0.402 . . . . 0.69999999999999996 112.086 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.05 75.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 0.54000000000000004 113.645 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 69.4 mt-30 -74.51 -40.9 61.48 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.35 0.523 . . . . 1.49 112.275 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.02 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.166 -0.679 . . . . 2.52 109.166 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 53' ' ' ALA . 13.1 tp -69.83 -68.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.893 -1.048 . . . . 0.57999999999999996 110.135 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 1.02 113.741 -178.269 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 120.968 0.32 . . . . 1.3 111.7 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' B' ' 56' ' ' LEU . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 121.081 0.467 . . . . 0.78000000000000003 109.781 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.45 HG22 HD21 ' B' ' 50' ' ' ASN . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.444 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' B' ' 50' ' ' ASN . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' A' ' 56' ' ' LEU . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 CA-C-O 120.915 0.298 . . . . 1.3 112.053 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 21.4 t -74.95 134.64 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.983 -0.747 . . . . 0.54000000000000004 108.983 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.69 170.37 7.92 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.389 -0.369 . . . . 0.40999999999999998 110.651 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.66 -15.98 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.28999999999999998 110.201 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 68.0 m-85 -75.6 -41.15 55.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.066 -0.716 . . . . 0.48999999999999999 109.066 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.13 -39.36 89.74 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.033 -0.53 . . . . 1.75 109.978 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.47 -43.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.362 -0.836 . . . . 0.22 110.054 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.7 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.235 -0.893 . . . . 0.29999999999999999 110.932 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 49.0 mt-10 -70.73 -35.39 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.138 -0.483 . . . . 2.21 111.268 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -78.99 -36.98 40.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 1.49 111.608 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.35 -12.17 52.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.46000000000000002 111.036 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.11 39.3 53.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.068 -0.813 . . . . 0.52000000000000002 111.068 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 13' ' ' ALA . 22.1 m -128.64 -173.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.687 0.279 . . . . 0.35999999999999999 110.273 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -94.08 151.21 19.67 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.254 -0.647 . . . . 1.26 109.254 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.827 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 52.2 p90 -57.61 -31.87 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 1.3200000000000001 110.664 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.5 -33.93 76.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 1.0900000000000001 110.593 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 75.9 m -66.53 -41.39 88.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.152 -0.684 . . . . 0.48999999999999999 109.152 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 95.8 t -61.04 -49.39 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.525 -0.761 . . . . 0.25 110.331 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -59.26 -35.45 73.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.992 -0.549 . . . . 0.87 110.82 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.598 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 55.3 mtt180 -65.03 -28.11 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 2.0299999999999998 110.86 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' A' ' 30' ' ' VAL . 58.6 t -85.58 -47.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.107 0.479 . . . . 0.44 110.689 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.611 HG21 ' HE2' ' A' ' 47' ' ' TYR . 54.0 t -57.19 -49.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.264 -0.88 . . . . 0.40999999999999998 112.815 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -104.04 3.73 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.638 0.607 . . . . 1.72 112.638 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 57.96 57.72 3.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.406 0.622 . . . . 4.8799999999999999 110.429 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -89.14 20.14 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 2.27 111.562 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m 64.66 -171.52 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.943 -0.571 . . . . 1.52 110.775 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.598 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 61.21 30.98 19.55 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.106 0.41 . . . . 0.76000000000000001 112.106 -179.436 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -131.04 122.38 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.228 0.537 . . . . 1.1599999999999999 111.056 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 p -84.27 166.45 17.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.426 -0.806 . . . . 1.3 110.118 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.79 -51.25 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.872 0.693 . . . . 1.0600000000000001 112.872 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -53.41 -49.54 67.08 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.063 0.394 . . . . 3.3900000000000001 112.063 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.98 -40.74 75.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.161 -0.472 . . . . 0.65000000000000002 111.931 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 35' ' ' ARG . 29.3 ttp-105 -59.97 -43.9 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 3.3100000000000001 110.994 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.0 -40.1 72.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 1.45 112.288 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.9 ptpt -69.43 -31.16 69.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.818 0.342 . . . . 0.97999999999999998 111.143 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 74.4 t -76.25 -40.5 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.334 -0.394 . . . . 0.35999999999999999 110.082 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.06 -29.2 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.809 -0.632 . . . . 1.5900000000000001 110.009 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.86 -40.61 47.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 110.373 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.38 86.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.049 -0.523 . . . . 0.37 111.412 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.7 ptp -70.77 -10.59 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.443 -0.344 . . . . 0.39000000000000001 111.206 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.73 17.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.198 0.523 . . . . 0.53000000000000003 110.099 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -71.55 -50.21 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.778 0.799 . . . . 1.3600000000000001 110.612 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -7.15 58.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.418 -1.264 . . . . 1.8799999999999999 111.18 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 59.87 62.25 1.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.027 0.917 . . . . 2.0099999999999998 109.635 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.769 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.534 -1.212 . . . . 1.1599999999999999 111.267 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.68 112.44 53.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.451 -0.795 . . . . 1.1599999999999999 110.276 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.88 139.61 88.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.394 2.063 . . . . 0.55000000000000004 112.062 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -99.67 110.11 22.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.196 0.522 . . . . 0.54000000000000004 110.765 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -77.71 -23.71 49.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 5.04 111.187 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -36.05 62.52 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.42 -0.585 . . . . 0.82999999999999996 109.42 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.1 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.432 -0.804 . . . . 0.45000000000000001 109.048 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.83 -38.64 86.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.108 -0.951 . . . . 1.21 109.66 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -65.83 -32.23 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 2.0099999999999998 110.243 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -78.21 -50.13 12.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.655 -0.702 . . . . 0.51000000000000001 110.616 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.93 96.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.534 -0.757 . . . . 0.48999999999999999 111.818 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.99 -0.624 . . . . 1.1399999999999999 112.073 179.749 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 29.8 t . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.201 -0.666 . . . . 0.78000000000000003 109.201 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 9' ' ' VAL . 26.8 p -90.61 173.27 8.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.855 -0.611 . . . . 0.5 110.515 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.556 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -12.47 59.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.496 -1.298 . . . . 0.65000000000000002 107.496 178.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.617 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 19.3 m-85 -77.13 -47.04 21.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.872 -1.513 . . . . 1.27 108.724 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -60.61 -35.78 76.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.61 -0.723 . . . . 1.3100000000000001 110.31 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 5' ' ' THR . 94.5 t -63.98 -40.9 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.346 0.593 . . . . 0.28000000000000003 110.091 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.569 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.36 -46.81 69.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.463 -0.79 . . . . 0.37 111.621 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.617 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.1 mt-10 -61.98 -35.87 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 2.3399999999999999 111.053 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.492 ' CD1' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -67.69 -40.14 84.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 1.5800000000000001 110.874 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.517 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -81.14 -10.52 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.64000000000000001 111.825 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.38 56.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.077 -0.582 . . . . 0.58999999999999997 112.463 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.99 168.04 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.062 -0.347 . . . . 0.5 110.062 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.3 p -68.3 147.74 51.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.423 -0.954 . . . . 0.64000000000000001 108.423 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -59.84 -25.97 65.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 1.49 110.581 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.29 -20.33 60.84 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.415 -0.357 . . . . 0.96999999999999997 110.704 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.525 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 50.6 m -65.65 -36.66 84.31 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.135 -1.061 . . . . 0.54000000000000004 108.135 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.17 -44.9 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.946 -1.025 . . . . 0.44 108.708 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -55.37 -35.68 65.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.013 -0.54 . . . . 1.29 110.889 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.764 ' HD2' ' HB2' ' B' ' 29' ' ' HIS . 47.3 mtm-85 -68.64 -41.11 79.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 2.6600000000000001 110.508 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 19' ' ' THR . 48.4 t -72.69 -39.89 60.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.271 0.558 . . . . 0.73999999999999999 110.181 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.02 -34.16 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 0.89000000000000001 111.059 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 1.6799999999999999 111.049 -179.522 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.764 ' HB2' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.043 0.449 . . . . 1.3100000000000001 110.182 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.456 HG12 ' HB ' ' B' ' 34' ' ' THR . 0.0 OUTLIER -136.66 130.79 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 1.22 109.833 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 37.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.679 0.992 . . . . 1.4199999999999999 113.679 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.11 -57.64 0.47 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.87 0.868 . . . . 1.0700000000000001 112.033 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -56.94 -38.55 73.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 3.2999999999999998 110.148 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.467 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -62.14 -44.76 95.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.79000000000000004 110.501 179.31 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -59.87 -50.7 72.76 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.192 0.52 . . . . 3.21 110.31 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.11 -41.07 87.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.124 -0.944 . . . . 2.0899999999999999 111.608 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.517 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.4 ttpt -70.24 -40.09 74.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.738 0.304 . . . . 1.6599999999999999 110.813 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 34' ' ' THR . 55.7 t -66.93 -47.93 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.42999999999999999 110.185 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.24 -32.42 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 1.79 110.347 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.38 -41.55 80.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.681 -0.489 . . . . 0.69999999999999996 109.681 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.61 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.46999999999999997 110.601 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.81 -22.76 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.539 -0.755 . . . . 0.52000000000000002 110.708 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.68 -28.14 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.358 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 78.5 mm-40 -68.41 -52.24 35.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.353 0.597 . . . . 1.55 110.708 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -90.24 -6.02 55.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.98999999999999999 111.714 -178.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 61.37 67.16 0.8 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.407 -0.961 . . . . 1.77 108.407 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.9 t80 -58.16 110.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.516 -1.22 . . . . 1.3300000000000001 112.524 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -109.64 95.95 21.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.965 -1.124 . . . . 1.28 107.965 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -35.41 130.06 0.28 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.165 3.243 . . . . 0.82999999999999996 114.116 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.684 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.1 m120 -44.98 108.83 0.13 Allowed 'General case' 0 C--O 1.222 -0.351 0 O-C-N 124.21 0.943 . . . . 1.6399999999999999 110.443 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -72.0 -38.93 69.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.689 0.28 . . . . 4.7599999999999998 111.225 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 20.7 m -83.45 -53.66 5.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.69999999999999996 112.046 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' B' ' 50' ' ' ASN . . . -67.65 -41.27 84.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.707 1.003 . . . . 0.54000000000000004 113.707 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.684 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 68.8 mt-30 -73.44 -31.9 64.08 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.373 -0.531 . . . . 1.49 111.43 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.44 -28.83 64.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.714 0.769 . . . . 2.52 109.176 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 56' ' ' LEU . 12.1 tp -75.05 -67.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.472 -1.24 . . . . 0.57999999999999996 110.193 178.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.041 -0.981 . . . . 1.02 112.505 -178.539 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.127 0.386 . . . . 1.3 111.592 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 34.1 t -74.74 142.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.54000000000000004 110.091 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.26 168.08 9.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.413 -0.358 . . . . 0.40999999999999998 110.494 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -65.32 -18.62 65.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 0.28999999999999998 110.672 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -76.51 -34.1 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.508 -0.553 . . . . 0.48999999999999999 109.508 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -36.25 73.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.76 -0.655 . . . . 1.75 109.642 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.58 -44.67 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.3 -0.864 . . . . 0.22 110.119 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.25 97.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.533 -0.758 . . . . 0.29999999999999999 111.123 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -66.71 -30.79 71.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 2.21 111.535 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -81.14 -33.02 33.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 1.49 111.108 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.41 -19.35 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.46000000000000002 110.956 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.6 25.63 35.06 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.909 -0.876 . . . . 0.52000000000000002 110.909 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.8 m -121.65 -167.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.995 -0.372 . . . . 0.35999999999999999 109.995 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 m -110.01 155.24 22.07 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.356 -0.609 . . . . 1.26 109.356 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.707 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 46.0 p90 -55.17 -31.04 61.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.361 . . . . 1.3200000000000001 111.144 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 9.0 tp-100 -64.1 -33.98 77.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0900000000000001 109.794 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 60.9 m -75.67 -37.17 59.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.48999999999999999 109.837 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' HA ' HG11 ' A' ' 38' ' ' VAL . 80.4 t -60.83 -55.17 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.849 -0.614 . . . . 0.25 110.525 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -63.46 -28.74 70.17 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.849 0.357 . . . . 0.87 110.478 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.79 ' HG3' HG22 ' A' ' 30' ' ' VAL . 19.1 tpp180 -61.46 -33.73 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.275 -0.639 . . . . 2.0299999999999998 109.275 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.68 HG13 ' HG3' ' A' ' 35' ' ' ARG . 85.2 t -86.4 -46.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.172 -0.922 . . . . 0.44 110.452 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' VAL . 73.6 t -56.95 -42.38 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 115.886 -0.597 . . . . 0.40999999999999998 111.664 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -80.51 -15.84 55.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 1.72 111.1 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 57.76 66.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.211 0.529 . . . . 4.8799999999999999 110.559 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.67 -152.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 2.27 110.873 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.14 -177.51 4.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.603 -0.517 . . . . 1.52 109.603 179.081 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.71 33.12 18.15 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.157 0.429 . . . . 0.76000000000000001 112.157 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.79 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -122.03 120.93 62.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.466 -0.494 . . . . 1.1599999999999999 111.843 -179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.5 p -93.91 149.55 21.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.633 -0.712 . . . . 1.3 109.676 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.84 -44.51 82.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.106 0.254 . . . . 1.0600000000000001 111.549 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -50.65 -49.8 56.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 3.3900000000000001 112.414 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -79.49 -34.2 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.647 -0.421 . . . . 0.65000000000000002 111.749 -179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.68 ' HG3' HG13 ' A' ' 23' ' ' VAL . 44.3 ttp180 -61.79 -36.68 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 3.3100000000000001 110.454 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 43.7 mt-10 -73.35 -25.9 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.494 0.553 . . . . 1.45 112.494 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.7 ptpt -91.57 -28.17 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.604 -0.438 . . . . 0.97999999999999998 111.31 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 20' ' ' VAL . 78.6 t -72.16 -43.73 65.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.532 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 22.8 mt-10 -69.03 -23.35 64.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.179 0.514 . . . . 1.5900000000000001 110.258 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.81 -41.61 29.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.594 -0.73 . . . . 0.52000000000000002 110.274 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.73 -40.66 88.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 0.37 111.418 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.713 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -71.69 -10.32 59.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.39000000000000001 111.156 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.34 -21.19 19.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.53000000000000003 110.122 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 18.1 mm-40 -81.35 -51.07 8.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.913 0.863 . . . . 1.3600000000000001 110.965 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -82.57 -8.51 59.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.41 -1.268 . . . . 1.8799999999999999 111.621 -178.596 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.97 61.93 0.91 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.678 0.751 . . . . 2.0099999999999998 109.247 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.713 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 17.9 t80 -76.33 130.67 38.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 111.732 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -117.33 107.25 45.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 1.1599999999999999 109.751 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.16 121.66 9.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.55000000000000004 112.251 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -74.27 113.75 11.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.196 -0.456 . . . . 0.54000000000000004 111.138 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 16.7 mmt180 -77.53 -27.93 51.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 5.04 111.615 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.34 -39.77 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.389 0.614 . . . . 0.82999999999999996 109.569 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -67.75 -33.73 75.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.358 -0.837 . . . . 0.45000000000000001 109.499 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.44 -36.49 74.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.466 -0.788 . . . . 1.21 109.444 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -79.04 5.44 11.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.4 -0.818 . . . . 2.0099999999999998 110.693 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.2 tp -116.55 -48.43 2.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.401 -0.818 . . . . 0.51000000000000001 109.626 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -51.02 62.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.07 -0.968 . . . . 0.48999999999999999 112.373 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.337 -0.935 . . . . 1.1399999999999999 112.98 -179.142 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.645 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 92.1 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 121.308 0.575 . . . . 0.78000000000000003 110.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.9 p -99.45 177.73 5.09 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.545 -0.752 . . . . 0.5 110.499 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.562 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -78.12 -11.6 59.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.847 -1.168 . . . . 0.65000000000000002 107.847 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.543 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 26.1 m-85 -75.16 -40.63 59.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.797 -1.547 . . . . 1.27 110.112 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.44 ' HB2' HG13 ' B' ' 4' ' ' VAL . 21.8 m-20 -64.87 -40.11 94.62 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 1.3100000000000001 110.4 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.467 ' HA ' HD23 ' B' ' 45' ' ' LEU . 52.4 t -60.52 -39.82 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 0.28000000000000003 110.676 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -70.87 -45.53 64.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.475 -0.784 . . . . 0.37 111.502 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -42.57 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 2.3399999999999999 111.258 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.62 ' CB ' HD21 ' B' ' 45' ' ' LEU . 76.5 t80 -66.69 -41.67 87.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 1.5800000000000001 111.091 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -74.57 -13.23 60.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.963 -0.562 . . . . 0.64000000000000001 111.81 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.99 77.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.58999999999999997 112.372 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' B' ' 13' ' ' ALA . 26.9 m -114.37 173.49 3.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 110.374 -0.232 . . . . 0.5 110.374 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 86.5 p -72.36 155.73 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.744 -0.835 . . . . 0.64000000000000001 108.744 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.562 ' HD2' ' CD2' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -67.05 -18.43 65.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.503 0.668 . . . . 1.49 109.875 -179.258 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.564 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 21.5 mt-30 -81.33 -19.88 41.88 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.675 -0.693 . . . . 0.96999999999999997 110.16 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -66.74 -36.03 81.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.978 -1.119 . . . . 0.54000000000000004 107.978 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.417 HG13 ' CG1' ' B' ' 38' ' ' VAL . 63.9 t -76.09 -38.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.494 -1.23 . . . . 0.44 108.946 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.2 t -55.18 -35.54 64.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.276 -0.875 . . . . 1.29 110.415 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HD3' ' HB2' ' B' ' 29' ' ' HIS . 24.8 mtt180 -68.69 -48.22 64.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 110.643 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.52 -36.4 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.41 0.624 . . . . 0.73999999999999999 110.08 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.517 HG21 HD12 ' B' ' 6' ' ' LEU . 13.1 t -70.64 -35.02 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 110.721 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 1.6799999999999999 111.061 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.46 ' HB2' ' HD3' ' B' ' 22' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 120.514 0.197 . . . . 1.3100000000000001 111.447 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 122.71 56.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.79 0.328 . . . . 1.22 110.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 158.41 30.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.876 -0.602 . . . . 1.4199999999999999 110.206 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -45.42 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.854 0.316 . . . . 1.0700000000000001 111.854 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.93 -42.23 97.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.542 0.571 . . . . 3.2999999999999998 112.542 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.429 ' O ' HG23 ' B' ' 38' ' ' VAL . 12.3 p -79.89 -42.42 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.757 -0.377 . . . . 0.79000000000000004 111.793 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -56.44 -50.56 71.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 3.21 111.286 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -71.42 -26.6 62.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 2.0899999999999999 111.21 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.48 -38.94 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 1.6599999999999999 110.117 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 34' ' ' THR . 51.5 t -60.61 -49.77 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.42999999999999999 110.527 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.73 -36.03 79.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.595 -0.73 . . . . 1.79 110.802 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.44 -40.56 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.69999999999999996 110.781 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.42 72.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.912 -0.585 . . . . 0.46999999999999997 110.683 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.57 -25.71 64.8 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.87 -0.605 . . . . 0.52000000000000002 110.667 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.37 -21.0 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.62 111.253 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.81 -46.52 18.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.55 110.586 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' B' ' 12' ' ' TYR . 1.0 OUTLIER -81.98 -16.21 51.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.98999999999999999 110.422 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.494 ' O ' HG12 ' B' ' 48' ' ' ILE . 62.7 t30 68.82 61.29 0.34 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.074 -1.454 . . . . 1.77 107.074 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.645 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.3 t80 -55.0 108.37 0.4 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.25 -1.341 . . . . 1.3300000000000001 112.554 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.588 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 35.1 mm -113.64 89.54 15.92 Favored Pre-proline 0 N--CA 1.453 -0.309 0 N-CA-C 107.278 -1.379 . . . . 1.28 107.278 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 11.7 Cg_exo -27.24 126.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 1 C-N-CA 125.412 4.075 . . . . 0.82999999999999996 115.607 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -74.38 68.4 1.54 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.341 -0.845 . . . . 1.6399999999999999 108.771 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -45.6 -35.36 3.96 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 114.041 1.126 . . . . 4.7599999999999998 114.041 -177.252 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 90.6 m -62.8 -49.02 76.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.648 -0.421 . . . . 0.69999999999999996 111.601 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.41 -27.5 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.54000000000000004 111.566 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 60.0 mt-30 -75.45 -35.68 60.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.784 0.29 . . . . 1.49 111.784 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -69.16 -39.72 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.182 -1.044 . . . . 2.52 108.182 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 53' ' ' ALA . 10.6 tp -65.12 -64.98 0.73 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.902 -1.499 . . . . 0.57999999999999996 110.888 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.02 113.308 -177.692 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 CA-C-O 121.183 0.41 . . . . 1.3 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.703 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 20.2 t -76.34 132.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.71 -0.677 . . . . 0.54000000000000004 109.933 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.8 171.18 7.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.932 -0.576 . . . . 0.40999999999999998 110.324 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.933 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -66.47 -15.72 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.28999999999999998 110.44 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -74.54 -36.13 63.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.986 -0.746 . . . . 0.48999999999999999 108.986 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.52 -40.35 85.12 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.401 -0.818 . . . . 1.75 110.035 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 t -66.73 -41.73 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.492 -0.777 . . . . 0.22 109.809 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.27 88.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.239 -0.891 . . . . 0.29999999999999999 110.719 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.83 -29.45 63.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.89 0.376 . . . . 2.21 111.216 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.9 t80 -76.85 -36.18 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 1.49 111.147 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.47 -13.98 31.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.873 0.368 . . . . 0.46000000000000002 111.412 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.39 33.75 38.38 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.359 -0.696 . . . . 0.52000000000000002 111.359 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -123.71 -164.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.806 -0.442 . . . . 0.35999999999999999 109.806 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 p -104.53 154.94 19.27 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.534 -0.543 . . . . 1.26 109.534 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.933 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.1 p90 -62.45 -27.68 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.168 0.509 . . . . 1.3200000000000001 109.676 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.3 tp60 -65.74 -41.98 91.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.863 -0.791 . . . . 1.0900000000000001 108.863 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.5 m -61.91 -45.26 94.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.7 -0.682 . . . . 0.48999999999999999 109.343 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 68.9 t -56.85 -49.17 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.79 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.6 t -62.31 -34.66 77.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 0.87 110.5 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 89.5 mtt-85 -69.49 -23.92 63.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 2.0299999999999998 110.449 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 35' ' ' ARG . 94.2 t -85.27 -51.53 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.186 0.517 . . . . 0.44 110.224 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' VAL . 48.8 t -60.37 -46.93 94.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.40999999999999998 112.45 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -100.08 1.37 42.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 54.44 61.14 3.14 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.321 0.581 . . . . 4.8799999999999999 109.866 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -92.58 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.593 -0.73 . . . . 2.27 111.898 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 5.0 t 60.76 -174.6 0.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.219 -0.446 . . . . 1.52 110.632 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.603 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 59.68 33.57 21.93 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.296 0.239 . . . . 0.76000000000000001 111.098 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -128.23 130.45 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.928 0.394 . . . . 1.1599999999999999 111.191 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -101.21 155.8 17.81 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.577 -0.738 . . . . 1.3 109.243 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.5 -34.38 70.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 1.0600000000000001 111.278 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 74.3 tttt -54.9 -44.69 74.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.84 -0.618 . . . . 3.3900000000000001 111.795 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -93.51 -34.43 13.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.587 0.588 . . . . 0.65000000000000002 112.587 -179.472 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.655 ' HG3' HG13 ' A' ' 23' ' ' VAL . 56.5 ttt180 -58.41 -43.3 88.58 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.029 0.381 . . . . 3.3100000000000001 112.029 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 32.8 mt-10 -70.36 -27.19 64.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.649 0.611 . . . . 1.45 112.649 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 34' ' ' THR . 16.3 ptpt -81.53 -28.76 33.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.246 -0.582 . . . . 0.97999999999999998 110.111 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 84.5 t -73.79 -42.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.495 . . . . 0.35999999999999999 109.72 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 1.5900000000000001 109.817 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.37 -43.51 27.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.52000000000000002 110.873 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -60.61 -44.14 96.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.37 111.79 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.709 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.5 ptp -68.8 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.39000000000000001 111.462 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.61 -10.9 30.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.155 0.502 . . . . 0.53000000000000003 109.769 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.1 mm-40 -87.25 -57.11 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 1.3600000000000001 111.186 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -86.39 3.21 44.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.429 -0.805 . . . . 1.8799999999999999 112.536 -179.093 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m120 62.16 66.84 0.77 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.585 0.553 . . . . 2.0099999999999998 111.481 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.2 t80 -78.06 136.76 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.978 -0.556 . . . . 1.1599999999999999 111.212 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.92 113.74 32.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 1.1599999999999999 110.452 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.02 122.09 10.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 0.55000000000000004 111.469 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -80.0 108.46 13.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.54000000000000004 112.049 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.543 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -72.58 -22.77 60.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 5.04 110.892 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.84 -42.65 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.495 0.664 . . . . 0.82999999999999996 109.714 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -72.03 -30.12 64.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.248 -0.887 . . . . 0.45000000000000001 109.82 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -65.48 -40.35 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.393 -0.821 . . . . 1.21 110.177 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.69 -33.71 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.8 -0.636 . . . . 2.0099999999999998 110.486 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.94 -49.65 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.51000000000000001 111.173 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.9 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.48999999999999999 110.768 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 111.158 -0.777 . . . . 1.1399999999999999 111.158 178.72 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 48.4 t . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.261 -0.274 . . . . 0.78000000000000003 110.261 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.579 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 16.2 p -93.0 166.86 12.16 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.373 -0.603 . . . . 0.5 109.373 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.614 HD23 ' OH ' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -81.1 -5.81 58.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.235 -1.024 . . . . 0.65000000000000002 108.235 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 m-85 -81.18 -31.06 34.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.225 -1.352 . . . . 1.27 109.263 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.54 -32.01 69.28 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.362 -0.836 . . . . 1.3100000000000001 109.119 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' B' ' 45' ' ' LEU . 46.7 t -64.67 -42.7 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.979 -1.009 . . . . 0.28000000000000003 110.362 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -65.59 -50.54 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.37 111.586 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 13.3 mm-40 -62.64 -37.95 88.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 2.3399999999999999 111.845 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.523 ' CB ' HD21 ' B' ' 45' ' ' LEU . 89.9 t80 -66.88 -49.2 66.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.693 0.283 . . . . 1.5800000000000001 111.017 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.63 -29.4 70.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.342 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.07 59.85 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.589 -0.815 . . . . 0.58999999999999997 111.778 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.93 164.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.042 -0.355 . . . . 0.5 110.042 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -67.97 149.15 50.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.741 -0.837 . . . . 0.64000000000000001 108.741 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.614 ' OH ' HD23 ' B' ' 6' ' ' LEU . 64.9 t80 -59.18 -30.89 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 1.49 110.831 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.45 -34.09 77.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.96999999999999997 110.449 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.0 m -59.8 -33.87 72.29 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.637 0.732 . . . . 0.54000000000000004 109.064 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' B' ' 10' ' ' ALA . 62.6 t -71.76 -52.29 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.293 -0.867 . . . . 0.44 108.946 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.5 t -48.79 -34.5 12.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.818 -0.628 . . . . 1.29 111.307 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 41.3 mmt180 -58.82 -59.55 5.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 2.6600000000000001 110.492 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -60.76 -39.56 82.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.925 -0.58 . . . . 0.73999999999999999 111.343 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.06 -34.51 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.716 . . . . 0.89000000000000001 111.238 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 1.6799999999999999 111.371 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.703 0.287 . . . . 1.3100000000000001 111.377 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -134.39 131.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.882 0.372 . . . . 1.22 110.538 178.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.02 167.74 10.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.891 -0.595 . . . . 1.4199999999999999 109.928 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.16 71.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 1.0700000000000001 111.196 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HE2' ' B' ' 37' ' ' LYS . 52.4 mtmt -62.31 -31.29 71.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 3.2999999999999998 111.982 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 38' ' ' VAL . 2.9 p -103.52 -48.53 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.319 0.488 . . . . 0.79000000000000004 112.319 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.481 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 33.0 ttp180 -56.0 -52.93 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.709 0.29 . . . . 3.21 111.604 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -65.02 -34.26 78.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.128 0.489 . . . . 2.0899999999999999 110.277 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 24.3 ttmm -62.4 -43.04 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.752 -0.658 . . . . 1.6599999999999999 111.078 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 34' ' ' THR . 66.4 t -68.47 -48.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.42999999999999999 110.817 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.34 -42.41 86.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.429 -0.351 . . . . 1.79 110.736 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.57 -37.28 79.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.069 -0.514 . . . . 0.69999999999999996 111.017 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.4 73.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.46999999999999997 110.426 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.44 -25.24 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.52000000000000002 110.52 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.87 -29.98 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.62 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 47.8 mm-40 -70.26 -50.4 40.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.2 0.524 . . . . 1.55 110.166 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.558 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.5 OUTLIER -77.4 -16.69 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.6 -0.727 . . . . 0.98999999999999999 110.67 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.38 49.82 2.42 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 106.523 -1.658 . . . . 1.77 106.523 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.2 t80 -53.95 122.32 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 113.507 -1.678 . . . . 1.3300000000000001 112.775 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 mm -106.58 102.83 43.57 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 107.41 -1.33 . . . . 1.28 107.41 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 47' ' ' TYR . 21.7 Cg_exo -34.27 125.45 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 124.075 3.183 . . . . 0.82999999999999996 114.672 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 5.7 m-20 -73.86 59.11 0.67 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.938 -1.028 . . . . 1.6399999999999999 110.104 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -48.66 -39.65 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.112 0.782 . . . . 4.7599999999999998 113.112 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.5 m -59.75 -53.28 59.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.779 0.263 . . . . 0.69999999999999996 111.539 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.68 52.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.591 -0.277 . . . . 0.54000000000000004 111.447 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.4 -41.49 56.08 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.431 0.16 . . . . 1.49 111.431 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -64.29 -38.75 92.16 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.487 -0.931 . . . . 2.52 108.487 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.1 tp -63.83 -61.13 2.49 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 113.998 -1.455 . . . . 0.57999999999999996 109.657 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.411 -0.813 . . . . 1.02 111.373 -179.671 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 N--CA 1.462 -0.357 0 CA-C-O 121.127 0.386 . . . . 1.3 111.555 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.747 HG11 ' HG ' ' A' ' 45' ' ' LEU . 26.1 t -81.56 130.99 34.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.798 -0.637 . . . . 0.54000000000000004 109.646 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.31 169.15 8.72 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.894 -0.594 . . . . 0.40999999999999998 110.372 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.73 -16.9 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.525 -0.307 . . . . 0.28999999999999998 110.353 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -73.71 -35.06 65.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.475 -0.565 . . . . 0.48999999999999999 109.475 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.67 77.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 1.75 109.884 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD21 ' A' ' 45' ' ' LEU . 21.8 t -69.75 -42.13 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.22 110.294 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.22 85.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.831 . . . . 0.29999999999999999 110.125 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.72 -34.58 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 2.21 110.245 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.6 t80 -70.24 -40.14 74.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.201 -0.454 . . . . 1.49 111.451 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.13 -15.03 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.46000000000000002 111.354 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.49 36.53 33.67 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.098 -0.801 . . . . 0.52000000000000002 111.098 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.6 m -124.47 -162.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.045 -0.577 . . . . 0.35999999999999999 110.248 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 p -104.62 157.35 17.24 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.018 -0.734 . . . . 1.26 109.018 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.854 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 45.3 p90 -65.79 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.233 -0.587 . . . . 1.3200000000000001 109.514 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.421 HE21 ' HG3' ' A' ' 22' ' ' ARG . 9.9 tp60 -66.79 -39.78 87.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.57 -0.9 . . . . 1.0900000000000001 108.57 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.3 m -62.49 -44.96 95.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.48999999999999999 109.546 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 38' ' ' VAL . 76.6 t -56.31 -50.81 69.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.183 -0.917 . . . . 0.25 110.603 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -61.41 -37.64 84.2 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.211 -0.45 . . . . 0.87 110.858 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 72.4 mtt-85 -63.23 -30.71 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.397 -0.365 . . . . 2.0299999999999998 110.818 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' THR . 64.1 t -83.13 -48.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.407 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HE2' ' A' ' 47' ' ' TYR . 92.4 t -59.42 -42.25 87.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.378 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -82.58 -17.0 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 1.72 111.079 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 62.97 57.71 1.61 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.58 0.55 . . . . 4.8799999999999999 110.227 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.72 -155.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 2.27 111.796 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.62 -179.96 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.52 110.715 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.67 30.21 14.88 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.793 0.437 . . . . 0.76000000000000001 111.139 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 1.6 t -124.45 116.94 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.566 -0.454 . . . . 1.1599999999999999 111.248 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 p -84.46 149.72 25.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.712 -0.676 . . . . 1.3 109.44 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.71 -26.38 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.257 -0.429 . . . . 1.0600000000000001 111.591 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 37.6 ttpt -61.97 -57.2 12.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 3.3900000000000001 111.302 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.556 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.88 -29.11 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.424 0.527 . . . . 0.65000000000000002 112.424 -178.508 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG3' HG13 ' A' ' 23' ' ' VAL . 41.6 ttm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 3.3100000000000001 111.057 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 52.0 mt-10 -74.26 -24.09 59.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.777 -0.647 . . . . 1.45 111.622 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 23.1 mtpp -77.5 -38.74 48.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.97999999999999998 110.176 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 20' ' ' VAL . 61.0 t -71.19 -44.82 73.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.35999999999999999 110.965 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -62.89 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.284 0.564 . . . . 1.5900000000000001 110.061 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.38 -42.14 59.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.739 -0.664 . . . . 0.52000000000000002 110.913 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -66.28 -42.74 88.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.37 112.066 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.4 ptp -68.13 -10.09 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.057 0.391 . . . . 0.39000000000000001 112.057 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.77 -16.94 22.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.53000000000000003 110.209 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -80.83 -60.01 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 1.3600000000000001 110.743 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.747 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -81.91 0.58 39.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 1.8799999999999999 112.458 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 62.92 67.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.126 0.489 . . . . 2.0099999999999998 111.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.763 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.1 t80 -75.15 130.89 39.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.707 -0.678 . . . . 1.1599999999999999 111.43 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.93 106.66 55.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 1.1599999999999999 110.327 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.3 120.26 7.84 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.526 2.151 . . . . 0.55000000000000004 111.184 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -79.66 108.32 13.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.327 -0.397 . . . . 0.54000000000000004 111.535 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -73.45 -22.69 60.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 5.04 110.768 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -77.92 -41.31 36.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.357 -0.383 . . . . 0.82999999999999996 110.105 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.83 -30.79 69.41 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.45000000000000001 109.757 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.74 -41.07 88.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.799 -0.637 . . . . 1.21 110.543 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.39 -32.7 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 2.0099999999999998 109.972 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.35 -50.55 15.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 110.623 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.83 72.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.48999999999999999 110.783 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 121.029 -0.605 . . . . 1.1399999999999999 111.851 178.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.732 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.7 t . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.556 -0.535 . . . . 0.78000000000000003 109.556 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.568 HG22 HD21 ' B' ' 50' ' ' ASN . 16.6 p -90.75 169.25 11.12 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.843 -0.617 . . . . 0.5 111.455 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.583 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -79.44 -7.7 58.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.458 -1.312 . . . . 0.65000000000000002 107.458 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 18.5 m-85 -79.78 -44.54 20.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 113.718 -1.583 . . . . 1.27 109.628 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.54 -37.19 86.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.275 -0.875 . . . . 1.3100000000000001 110.989 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' B' ' 45' ' ' LEU . 56.5 t -62.64 -41.79 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.319 0.581 . . . . 0.28000000000000003 109.946 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -50.27 63.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.201 -0.909 . . . . 0.37 111.189 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 91.9 mt-10 -57.64 -36.56 72.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 2.3399999999999999 111.286 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 80.0 t80 -68.95 -51.47 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 1.5800000000000001 111.205 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.701 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -65.09 -30.74 71.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.64000000000000001 111.736 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.11 8.37 41.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.943 -0.646 . . . . 0.58999999999999997 112.164 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.97 169.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.243 . . . . 0.5 110.345 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.92 41.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.321 -0.622 . . . . 0.64000000000000001 109.321 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.583 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -62.76 -25.82 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 1.49 110.525 -179.472 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.5 -22.34 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.426 . . . . 0.96999999999999997 110.424 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -67.22 -29.18 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.643 -0.873 . . . . 0.54000000000000004 108.643 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.21 -41.0 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.042 -0.981 . . . . 0.44 109.066 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -50.82 -30.99 15.76 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.885 -0.598 . . . . 1.29 110.626 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.12 -64.07 0.93 Allowed 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.587 -0.733 . . . . 2.6600000000000001 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.43 HG23 ' H ' ' B' ' 23' ' ' VAL . 3.6 t -58.43 -29.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.73999999999999999 111.714 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.506 HG21 HD12 ' B' ' 6' ' ' LEU . 15.0 t -67.3 -29.19 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.29 -0.414 . . . . 0.89000000000000001 111.564 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.334 0.588 . . . . 1.6799999999999999 110.677 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 1.3100000000000001 109.535 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.71 122.45 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 1.22 109.811 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.51 161.97 26.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 1.4199999999999999 110.676 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.87 -52.9 61.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.514 0.509 . . . . 1.0700000000000001 111.705 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -59.6 -39.48 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 3.2999999999999998 111.227 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 20.2 m -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.607 -0.269 . . . . 0.79000000000000004 111.604 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 35' ' ' ARG . 19.6 ttt85 -61.88 -50.36 72.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.167 -0.309 . . . . 3.21 110.167 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.25 -33.59 73.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.752 -0.658 . . . . 2.0899999999999999 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.701 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 36.3 ttmt -63.39 -47.41 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 1.6599999999999999 110.643 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.48 -47.31 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.42999999999999999 111.508 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.44 -38.78 81.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.79 111.075 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.01 84.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.69999999999999996 110.26 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.41 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.46999999999999997 110.734 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 60.7 mtt -59.61 -27.05 65.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.259 -0.428 . . . . 0.52000000000000002 110.297 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.87 -19.45 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.62 111.136 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -75.87 -51.94 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.55 110.375 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' B' ' 9' ' ' VAL . 1.2 mm? -80.57 -15.72 55.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 0.98999999999999999 110.463 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.488 ' O ' HG13 ' B' ' 48' ' ' ILE . 67.1 t30 69.07 54.87 0.43 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.392 -1.336 . . . . 1.77 107.392 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.732 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.1 t80 -52.37 117.0 2.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.09 -1.414 . . . . 1.3300000000000001 112.745 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 46' ' ' ASN . 78.3 mt -124.19 93.23 47.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.454 -1.248 . . . . 1.28 107.784 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.518 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.9 Cg_exo -33.43 127.88 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.795 3.663 . . . . 0.82999999999999996 114.675 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.568 HD21 HG22 ' B' ' 5' ' ' THR . 1.8 m120 -55.21 91.67 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.245 0 O-C-N 124.097 0.873 . . . . 1.6399999999999999 110.76 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -54.38 -35.95 63.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.941 0.401 . . . . 4.7599999999999998 111.638 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 19.2 m -77.99 -56.09 4.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.236 0.458 . . . . 0.69999999999999996 112.236 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.39 73.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.9 1.074 . . . . 0.54000000000000004 113.9 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 55.7 mt-30 -69.76 -45.04 68.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.301 0.5 . . . . 1.49 112.11 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -65.02 -35.36 80.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.237 0.541 . . . . 2.52 109.81 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' B' ' 56' ' ' LEU . 12.6 tp -67.58 -68.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.953 -1.021 . . . . 0.57999999999999996 110.549 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.257 -0.883 . . . . 1.02 112.468 -178.533 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 CA--C 1.533 0.44 0 CA-C-O 121.323 0.468 . . . . 1.3 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.765 HG11 ' HG ' ' A' ' 45' ' ' LEU . 59.7 t -92.54 132.56 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.104 -0.702 . . . . 0.54000000000000004 109.104 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.1 172.64 6.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.456 -0.338 . . . . 0.40999999999999998 110.657 -178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -64.57 -17.65 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.122 -0.49 . . . . 0.28999999999999998 110.646 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.07 -33.52 63.71 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.423 -0.353 . . . . 0.48999999999999999 110.457 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.53 -35.14 60.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.723 -0.473 . . . . 1.75 109.723 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.3 -43.5 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.364 -0.606 . . . . 0.22 109.364 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.84 94.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.175 -0.92 . . . . 0.29999999999999999 110.078 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.614 -0.721 . . . . 2.21 110.464 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.7 t80 -76.07 -39.81 54.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 1.49 111.095 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.76 -16.41 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.46000000000000002 111.676 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.17 33.37 32.69 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.583 -0.817 . . . . 0.52000000000000002 111.425 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.8 m -123.3 -175.16 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.998 -0.601 . . . . 0.35999999999999999 109.835 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -94.97 157.51 15.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.155 -0.684 . . . . 1.26 109.155 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.654 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 54.2 p90 -60.14 -32.66 71.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.61 -0.436 . . . . 1.3200000000000001 110.928 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 10.0 tp60 -66.19 -33.25 75.33 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.109 -0.7 . . . . 1.0900000000000001 109.109 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.61 -39.51 88.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.48999999999999999 109.87 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.614 ' HA ' HG11 ' A' ' 38' ' ' VAL . 52.1 t -60.06 -57.19 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.25 110.257 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 66.0 m -63.56 -25.25 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.87 110.393 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.7 tpp180 -61.76 -32.04 72.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 2.0299999999999998 109.835 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.913 HG22 HG11 ' A' ' 30' ' ' VAL . 40.4 t -88.7 -46.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.165 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.7 t -62.37 -55.62 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 114.439 1.274 . . . . 0.40999999999999998 114.439 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -122.03 3.49 9.91 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.738 1.384 . . . . 1.72 114.738 -175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.477 ' CG ' ' HA ' ' A' ' 22' ' ' ARG . 70.1 mm-40 -106.03 -45.58 4.3 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.478 -0.889 . . . . 4.8799999999999999 111.356 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.65 27.22 13.93 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.42 0.629 . . . . 2.27 111.497 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 p -146.54 156.03 42.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.453 -0.794 . . . . 1.52 108.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m170 63.72 26.56 14.52 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.514 0.326 . . . . 0.76000000000000001 111.415 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -122.94 132.89 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.1599999999999999 111.458 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -90.95 163.18 14.44 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.361 -0.836 . . . . 1.3 108.964 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.99 82.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 1.0600000000000001 111.081 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 42.9 tttm -58.88 -45.23 90.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 3.3900000000000001 111.771 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -81.67 -40.33 23.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.347 0.499 . . . . 0.65000000000000002 112.347 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' A' ' 23' ' ' VAL . 42.3 ttp180 -57.97 -50.26 74.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.959 0.355 . . . . 3.3100000000000001 111.959 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -75.64 -11.44 60.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.149 -0.478 . . . . 1.45 111.98 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 18.8 ttmm -90.53 -35.43 15.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.409 . . . . 0.97999999999999998 110.28 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.3 t -75.47 -43.85 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.884 -0.598 . . . . 0.35999999999999999 110.043 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -61.72 -31.55 71.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 1.5900000000000001 109.85 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -80.61 -36.52 32.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.52000000000000002 111.087 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.596 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.31 -44.36 83.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.37 111.203 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.836 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.4 ptp -69.26 -8.5 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 0.39000000000000001 111.202 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -23.07 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.232 0.539 . . . . 0.53000000000000003 110.348 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 7.3 mm-40 -78.16 -57.1 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 1.3600000000000001 111.226 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.765 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -85.17 0.96 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.858 -0.61 . . . . 1.8799999999999999 112.33 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t30 59.2 77.06 0.33 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.728 0.775 . . . . 2.0099999999999998 110.657 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.3 t80 -82.51 138.76 34.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.982 -1.008 . . . . 1.1599999999999999 110.962 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.6 112.12 34.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.1599999999999999 110.321 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 119.68 6.8 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.444 2.096 . . . . 0.55000000000000004 111.528 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -76.04 105.99 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.54000000000000004 111.21 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -69.26 -28.94 66.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 5.04 110.804 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.522 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.97 -42.47 66.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.821 -0.437 . . . . 0.82999999999999996 109.821 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.69 -31.58 72.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.394 -0.595 . . . . 0.45000000000000001 109.394 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -66.58 -41.87 87.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.938 -1.028 . . . . 1.21 110.326 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.16 -32.38 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.767 -0.652 . . . . 2.0099999999999998 110.311 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD23 HD23 ' B' ' 56' ' ' LEU . 13.3 tp -77.66 -45.58 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.51000000000000001 110.933 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.27 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.48999999999999999 110.83 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.876 -0.678 . . . . 1.1399999999999999 112.266 179.158 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.698 HG21 ' O ' ' B' ' 45' ' ' LEU . 16.1 t . . . . . 0 CA--C 1.515 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.78000000000000003 110.69 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.513 HG22 HD21 ' B' ' 50' ' ' ASN . 17.4 p -106.04 172.84 6.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.156 -0.474 . . . . 0.5 110.694 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.57 HD12 HG21 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -78.95 -10.26 59.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.803 -1.184 . . . . 0.65000000000000002 107.803 179.147 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.458 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 20.5 m-85 -78.68 -33.89 46.61 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 113.857 -1.519 . . . . 1.27 109.629 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -69.34 -39.4 78.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 1.3100000000000001 110.415 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.589 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.9 t -61.32 -42.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.379 -0.828 . . . . 0.28000000000000003 110.853 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -63.36 -46.42 86.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.37 111.68 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.97 -41.35 87.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.763 -0.653 . . . . 2.3399999999999999 112.029 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.509 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.6 t80 -77.02 -37.66 54.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 1.5800000000000001 111.461 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.691 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -71.44 -27.32 63.19 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.005 0.372 . . . . 0.64000000000000001 112.005 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.9 20.32 47.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.6 -0.809 . . . . 0.58999999999999997 112.278 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -118.2 169.84 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.748 -0.464 . . . . 0.5 109.748 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -70.96 152.4 43.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.496 -0.927 . . . . 0.64000000000000001 108.496 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.573 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.51 -20.7 63.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 1.49 110.254 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.1 OUTLIER -76.49 -24.74 53.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.96999999999999997 110.126 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -66.14 -27.72 68.25 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.053 -0.721 . . . . 0.54000000000000004 109.053 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' B' ' 38' ' ' VAL . 2.9 t -75.22 -45.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.016 -0.993 . . . . 0.44 108.598 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -46.98 -36.74 8.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.901 0.48 . . . . 1.29 111.217 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 25.7 mmt180 -59.31 -60.1 4.4 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.253 -0.43 . . . . 2.6600000000000001 110.664 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.05 -34.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.675 -0.693 . . . . 0.73999999999999999 111.141 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 25.0 t -67.83 -33.68 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.89000000000000001 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.178 0.514 . . . . 1.6799999999999999 110.879 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.82 0.343 . . . . 1.3100000000000001 111.454 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.39 48.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.266 -0.642 . . . . 1.22 109.266 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 35.74 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.089 0.403 . . . . 1.4199999999999999 112.089 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 69.27 -53.66 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.72 0.808 . . . . 1.0700000000000001 111.646 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -55.89 -48.05 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.811 -0.632 . . . . 3.2999999999999998 111.022 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.56 91.52 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.398 -0.364 . . . . 0.79000000000000004 111.051 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -61.82 -49.87 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 3.21 110.512 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.82 -32.39 73.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.7 -0.682 . . . . 2.0899999999999999 110.679 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.691 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 1.0 OUTLIER -67.33 -46.52 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.675 -0.491 . . . . 1.6599999999999999 109.675 179.309 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' B' ' 42' ' ' MET . 69.1 t -66.35 -47.14 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.624 . . . . 0.42999999999999999 110.444 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.12 -46.03 75.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.877 -0.601 . . . . 1.79 111.053 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.76 78.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.405 -0.361 . . . . 0.69999999999999996 111.519 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.94 -31.56 72.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.459 -0.337 . . . . 0.46999999999999997 111.297 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 54.6 mtt -57.87 -31.49 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.52000000000000002 110.361 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.37 -34.08 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.62 110.947 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -63.14 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.358 0.599 . . . . 1.55 110.481 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -91.28 2.98 55.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.52 -0.764 . . . . 0.98999999999999999 111.209 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.2 p-10 46.65 48.9 14.23 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.15 0.976 . . . . 1.77 109.326 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.685 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -49.97 118.44 2.9 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.929 -1.487 . . . . 1.3300000000000001 113.423 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.517 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 29.0 mt -120.25 94.89 48.96 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 107.472 -1.307 . . . . 1.28 107.472 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -35.84 127.07 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.419 3.413 . . . . 0.82999999999999996 114.753 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.513 HD21 HG22 ' B' ' 5' ' ' THR . 1.9 m120 -52.76 99.54 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-N 115.51 -0.768 . . . . 1.6399999999999999 110.591 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.89 -40.5 84.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.7 0.259 . . . . 4.7599999999999998 111.7 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 64.0 m -77.07 -53.34 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.751 0.649 . . . . 0.69999999999999996 112.751 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.09 77.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.62 0.97 . . . . 0.54000000000000004 113.62 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 29.6 mt-30 -69.96 -47.27 62.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.947 0.351 . . . . 1.49 111.947 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.29 -38.0 76.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.492 0.663 . . . . 2.52 109.629 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.5 HD23 HD23 ' A' ' 56' ' ' LEU . 10.6 tp -66.46 -70.54 0.24 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.668 -1.151 . . . . 0.57999999999999996 110.569 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.02 113.341 -177.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 C--O 1.236 0.407 0 CA-C-O 121.133 0.389 . . . . 1.3 113.038 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 88.0 t -74.72 144.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.442 -0.799 . . . . 0.54000000000000004 109.222 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.74 165.91 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.735 0.302 . . . . 0.40999999999999998 110.641 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -63.66 -18.08 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.991 -0.55 . . . . 0.28999999999999998 110.987 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.99 -34.78 62.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.526 . . . . 0.48999999999999999 109.578 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -69.91 -38.79 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 1.75 109.553 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.03 -46.77 78.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.22 110.053 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.93 87.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.744 -0.662 . . . . 0.29999999999999999 110.727 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.23 -38.67 82.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.807 -0.633 . . . . 2.21 111.111 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.428 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 26.8 t80 -73.86 -35.62 64.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 1.49 111.261 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.74 -18.46 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.46000000000000002 111.549 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.14 27.7 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.069 -0.812 . . . . 0.52000000000000002 111.069 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -124.63 -166.52 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.098 -0.551 . . . . 0.35999999999999999 109.932 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -106.1 154.48 20.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.582 -0.525 . . . . 1.26 109.582 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.6 p90 -60.41 -28.82 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.306 0.574 . . . . 1.3200000000000001 110.08 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -68.09 -36.2 79.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.519 -0.764 . . . . 1.0900000000000001 109.347 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.4 m -67.1 -43.46 82.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.892 -0.595 . . . . 0.48999999999999999 109.622 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.9 t -57.57 -51.15 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.25 110.853 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 m -61.29 -29.7 70.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.823 0.344 . . . . 0.87 111.422 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 68.3 mtt180 -70.72 -23.9 62.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 2.0299999999999998 110.882 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 35' ' ' ARG . 66.0 t -90.63 -46.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.188 0.518 . . . . 0.44 110.497 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' VAL . 56.4 t -60.84 -49.82 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.138 -0.937 . . . . 0.40999999999999998 111.925 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -96.93 0.13 48.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.574 0.583 . . . . 1.72 112.574 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 57.79 76.13 0.34 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.229 0.538 . . . . 4.8799999999999999 110.548 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -113.41 25.04 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 2.27 111.317 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.3 t 59.26 -166.09 0.18 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.744 -0.662 . . . . 1.52 111.091 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.469 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.01 27.75 17.6 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.129 0.418 . . . . 0.76000000000000001 112.129 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 23' ' ' VAL . 3.2 t -132.98 140.55 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 1.1599999999999999 110.586 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -100.73 169.09 9.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.3 109.689 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -62.67 -36.78 84.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.852 0.358 . . . . 1.0600000000000001 111.09 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 40.3 mttt -56.57 -50.03 73.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 3.3900000000000001 111.706 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -78.6 -32.53 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.65000000000000002 112.382 -178.465 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.661 ' HG3' HG13 ' A' ' 23' ' ' VAL . 43.7 ttp180 -63.78 -45.98 87.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 3.3100000000000001 111.167 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 89.4 mt-10 -67.42 -26.01 66.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.745 0.646 . . . . 1.45 112.745 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.5 ptpt -85.08 -29.39 24.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.479 -0.488 . . . . 0.97999999999999998 110.379 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 34' ' ' THR . 53.7 t -72.85 -45.09 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.75 -0.463 . . . . 0.35999999999999999 109.75 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 42.4 mt-10 -68.07 -23.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 1.5900000000000001 109.834 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.77 -43.19 22.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.52000000000000002 110.195 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -67.78 -38.12 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.37 111.141 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.74 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.3 ptp -72.42 -11.1 60.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.933 0.397 . . . . 0.39000000000000001 110.808 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.68 -26.56 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.53000000000000003 109.937 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.0 mm-40 -71.27 -63.38 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.74 0.781 . . . . 1.3600000000000001 110.66 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -74.8 -10.88 59.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.523 -1.217 . . . . 1.8799999999999999 111.772 -178.243 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 67.0 65.92 0.43 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.605 0.717 . . . . 2.0099999999999998 109.652 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.7 t80 -73.49 134.31 43.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.83 -1.077 . . . . 1.1599999999999999 111.532 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -115.63 104.95 52.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.642 . . . . 1.1599999999999999 110.188 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -58.23 130.98 40.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.759 2.306 . . . . 0.55000000000000004 111.498 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.32 113.83 26.21 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.296 0.48 . . . . 0.54000000000000004 112.296 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -21.58 52.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.648 -0.705 . . . . 5.04 109.57 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -56.63 4.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -58.18 -28.62 64.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.45000000000000001 110.213 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.402 ' HB2' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -65.64 -38.73 90.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 1.21 109.665 178.405 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -72.16 -33.34 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 2.0099999999999998 110.837 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -77.22 -49.86 14.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 111.125 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.48999999999999999 111.948 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.651 0 C-N-CA 120.505 -0.855 . . . . 1.1399999999999999 112.66 -179.761 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.843 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 86.9 t . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.702 -0.481 . . . . 0.78000000000000003 109.702 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 7.0 p -90.77 163.07 14.6 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.257 -0.429 . . . . 0.5 110.628 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -76.99 -7.02 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.588 -1.264 . . . . 0.65000000000000002 107.588 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.466 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 27.1 m-85 -80.18 -42.03 24.15 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.864 -1.516 . . . . 1.27 109.263 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.17 -36.86 85.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.448 -0.797 . . . . 1.3100000000000001 109.96 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.533 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.1 t -61.45 -43.15 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.26 -0.882 . . . . 0.28000000000000003 110.248 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.62 -42.67 86.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.419 -0.809 . . . . 0.37 111.787 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.777 -0.647 . . . . 2.3399999999999999 111.124 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' B' ' 44' ' ' GLU . 67.6 t80 -72.22 -42.88 65.21 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 1.5800000000000001 111.139 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.74 -18.92 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.64000000000000001 112.564 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.58 27.7 60.73 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.963 -0.636 . . . . 0.58999999999999997 111.982 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 35.5 m -125.25 175.47 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 122.752 0.421 . . . . 0.5 109.923 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.3 p -75.22 154.72 37.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.412 -0.958 . . . . 0.64000000000000001 108.412 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -61.54 -22.11 64.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.497 . . . . 1.49 110.743 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' B' ' 21' ' ' SER . 4.2 tt0 -81.33 -17.26 49.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.189 -0.46 . . . . 0.96999999999999997 111.024 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.88 -31.23 71.69 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.987 -1.116 . . . . 0.54000000000000004 107.987 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.483 HG13 ' CG1' ' B' ' 38' ' ' VAL . 15.7 t -73.99 -39.18 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.256 -1.338 . . . . 0.44 108.792 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 31.3 t -53.21 -33.0 50.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.205 -0.907 . . . . 1.29 111.056 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 33.6 mmt180 -63.66 -56.26 17.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 2.6600000000000001 110.604 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.75 -27.93 41.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.012 -0.54 . . . . 0.73999999999999999 111.28 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 6' ' ' LEU . 5.4 t -73.49 -33.42 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.89000000000000001 111.03 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.247 0.546 . . . . 1.6799999999999999 111.75 -179.846 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 112.03 0.381 . . . . 1.3100000000000001 112.03 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.68 97.54 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 120.716 0.293 . . . . 1.22 110.265 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.45 152.88 28.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.906 -0.588 . . . . 1.4199999999999999 110.013 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.55 -48.97 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.49 0.552 . . . . 1.0700000000000001 112.49 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.598 ' HG3' ' HE2' ' B' ' 37' ' ' LYS . 4.4 tppp? -54.51 -55.12 32.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 3.2999999999999998 112.022 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.4 -41.1 85.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.279 0.474 . . . . 0.79000000000000004 112.279 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -61.25 -44.17 97.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 3.21 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -64.29 -33.59 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 2.0899999999999999 110.818 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.598 ' HE2' ' HG3' ' B' ' 33' ' ' LYS . 67.9 mttm -63.5 -45.5 90.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.253 0.549 . . . . 1.6599999999999999 109.559 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.483 ' CG1' HG13 ' B' ' 20' ' ' VAL . 66.9 t -66.08 -49.62 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.42999999999999999 111.239 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.26 -38.02 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.357 -0.383 . . . . 1.79 110.994 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.25 84.4 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.923 -0.399 . . . . 0.69999999999999996 109.923 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.49 79.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.78 -0.645 . . . . 0.46999999999999997 110.568 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 56.5 mtt -60.0 -23.56 63.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.52000000000000002 110.219 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.43 -35.1 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.62 111.174 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' B' ' 12' ' ' TYR . 23.7 mm-40 -65.42 -51.33 61.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 1.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -82.86 -14.06 54.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.723 -0.671 . . . . 0.98999999999999999 109.881 179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.49 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.5 t30 61.29 63.07 1.26 Allowed 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.573 -1.269 . . . . 1.77 107.573 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -49.36 113.34 0.79 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.099 -1.41 . . . . 1.3300000000000001 113.221 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.843 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 34.7 mt -121.44 90.53 47.84 Favored Pre-proline 0 N--CA 1.449 -0.494 0 N-CA-C 107.285 -1.376 . . . . 1.28 107.285 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -36.6 125.23 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 124.169 3.246 . . . . 0.82999999999999996 113.814 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.2 m120 -47.37 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.347 1.029 . . . . 1.6399999999999999 110.204 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.501 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 9.8 tpt180 -58.05 -24.71 59.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.763 0.316 . . . . 4.7599999999999998 111.705 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.56 -64.27 1.18 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.948 0.404 . . . . 0.69999999999999996 111.182 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.56 80.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.575 0.583 . . . . 0.54000000000000004 112.575 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.609 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 13.5 mm-40 -74.11 -34.32 63.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.948 -0.301 . . . . 1.49 111.25 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.74 -40.17 88.22 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.771 -0.826 . . . . 2.52 108.771 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.1 tp -66.44 -64.77 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.622 -1.172 . . . . 0.57999999999999996 110.524 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 113.231 0.826 . . . . 1.02 113.231 -178.155 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo . . . . . 0 C--O 1.235 0.343 0 CA-C-O 121.268 0.445 . . . . 1.3 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' A' ' 45' ' ' LEU . 79.7 t -94.83 136.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.72 . . . . 0.54000000000000004 109.415 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 170.23 8.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.185 -0.461 . . . . 0.40999999999999998 111.341 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -66.82 -16.6 64.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.28999999999999998 110.555 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -74.55 -39.68 62.15 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.864 -0.607 . . . . 0.48999999999999999 109.603 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.05 -38.08 85.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.392 -0.822 . . . . 1.75 110.201 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.51 ' HA ' HD11 ' A' ' 45' ' ' LEU . 40.6 t -68.14 -40.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.743 -0.662 . . . . 0.22 109.744 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.85 81.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.521 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.72 -29.0 63.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 2.21 111.097 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.588 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.0 t80 -76.58 -39.32 52.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 1.49 110.701 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.11 30.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.942 0.401 . . . . 0.46000000000000002 111.491 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.58 11.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.681 -0.968 . . . . 0.52000000000000002 110.681 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 34' ' ' THR . 26.8 m -132.37 -166.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.264 -0.468 . . . . 0.35999999999999999 110.031 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.8 p -100.55 158.61 15.79 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.1 -0.704 . . . . 1.26 109.1 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.895 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 38.0 p90 -66.05 -27.76 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.594 -0.521 . . . . 1.3200000000000001 109.594 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.44 -35.34 79.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.877 -0.786 . . . . 1.0900000000000001 108.877 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.2 m -65.81 -44.24 86.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.139 -0.689 . . . . 0.48999999999999999 109.139 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.1 t -58.64 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.082 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -62.68 -31.82 72.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.803 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 30' ' ' VAL . 6.6 tpp180 -64.02 -36.15 83.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.584 . . . . 2.0299999999999998 110.021 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 54.8 t -80.34 -46.45 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.197 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.6 t -58.86 -41.29 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.40999999999999998 111.744 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -78.95 -20.36 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.326 0.491 . . . . 1.72 112.326 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 61.59 42.89 10.57 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.319 0.581 . . . . 4.8799999999999999 110.269 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.9 -144.19 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 2.27 111.497 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.26 174.12 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.397 -0.365 . . . . 1.52 110.237 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.21 36.46 17.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.425 0.69 . . . . 0.76000000000000001 111.745 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -118.58 110.97 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.53 -0.468 . . . . 1.1599999999999999 110.944 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 87.2 p -82.35 159.83 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 1.3 110.212 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.27 66.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 1.0600000000000001 111.373 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 20.6 mmtp -62.91 -56.16 19.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 3.3900000000000001 111.293 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.809 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -73.91 -29.73 62.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.95 -0.568 . . . . 0.65000000000000002 112.056 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.0 ttt180 -58.47 -36.74 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.157 0.503 . . . . 3.3100000000000001 111.079 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.65 -35.51 22.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.597 . . . . 1.45 112.493 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.809 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.7 ptpt -75.43 -32.01 60.55 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.871 -0.332 . . . . 0.97999999999999998 111.675 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.1 t -74.11 -44.55 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.35999999999999999 110.338 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 1.3 mt-10 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 1.5900000000000001 110.441 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.99 -32.27 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.521 . . . . 0.52000000000000002 110.757 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -75.91 -42.73 48.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.953 -0.567 . . . . 0.37 111.027 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.629 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -65.51 -12.82 56.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.39000000000000001 111.673 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.36 23.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.419 . . . . 0.53000000000000003 110.677 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.51 -58.76 2.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.867 -0.606 . . . . 1.3600000000000001 111.694 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.779 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -80.8 -2.38 46.94 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.853 -0.612 . . . . 1.8799999999999999 112.604 -178.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 66.02 69.48 0.44 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.214 0.531 . . . . 2.0099999999999998 111.098 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.1 t80 -65.92 133.76 51.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.229 -0.896 . . . . 1.1599999999999999 111.015 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.464 HG12 ' H ' ' A' ' 4' ' ' VAL . 23.6 mm -108.72 100.42 38.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 1.1599999999999999 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.24 130.55 22.88 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.558 2.172 . . . . 0.55000000000000004 110.414 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -106.91 113.72 27.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.37 . . . . 0.54000000000000004 111.997 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 7.6 ppt_? -78.17 -22.72 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 5.04 109.823 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 1.1 m -69.82 -43.23 72.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.463 -0.569 . . . . 0.82999999999999996 109.463 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -69.41 -30.06 67.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.02 -0.991 . . . . 0.45000000000000001 109.602 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -68.02 -42.46 80.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 1.21 109.741 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.7 mt-30 -65.94 -32.66 74.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 2.0099999999999998 109.94 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.33 -52.91 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.51000000000000001 110.718 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.48999999999999999 111.278 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 121.095 -0.574 . . . . 1.1399999999999999 111.808 179.448 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.5 t . . . . . 0 CA--C 1.515 -0.38 0 CA-C-O 120.897 0.38 . . . . 0.78000000000000003 111.39 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 32.1 p -100.49 -176.66 3.27 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.643 -0.708 . . . . 0.5 110.46 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.565 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -81.1 -9.01 59.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.801 -1.185 . . . . 0.65000000000000002 107.801 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.419 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 14.9 m-85 -81.32 -35.3 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 113.8 -1.546 . . . . 1.27 109.933 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.66 ' HB2' HG13 ' B' ' 4' ' ' VAL . 14.5 m-20 -70.9 -39.68 72.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 111.103 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.559 ' HA ' HD23 ' B' ' 45' ' ' LEU . 44.6 t -57.91 -38.37 65.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.369 0.604 . . . . 0.28000000000000003 110.365 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -44.51 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.214 -0.903 . . . . 0.37 111.223 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -56.9 -47.29 80.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.84 . . . . 2.3399999999999999 111.818 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.689 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.1 t80 -69.86 -42.12 73.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 1.5800000000000001 111.764 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.2 -21.04 63.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.379 -0.373 . . . . 0.64000000000000001 111.247 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.59 22.9 52.47 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.822 -0.704 . . . . 0.58999999999999997 112.224 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.02 174.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.579 -0.526 . . . . 0.5 109.579 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.6 p -78.43 153.43 31.49 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.691 -0.855 . . . . 0.64000000000000001 108.691 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -58.66 -28.53 65.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.195 0.521 . . . . 1.49 109.758 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 0.4 OUTLIER -65.84 -30.03 70.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.96999999999999997 110.429 179.405 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' B' ' 23' ' ' VAL . 18.7 m -61.9 -40.08 94.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.04 -0.726 . . . . 0.54000000000000004 109.04 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.9 t -69.46 -45.66 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.317 -0.856 . . . . 0.44 109.115 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -54.56 -33.87 60.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.137 0.494 . . . . 1.29 110.788 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 4.8 mtt85 -79.76 -42.57 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 111.238 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 19' ' ' THR . 60.5 t -58.3 -33.43 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.73999999999999999 110.517 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 20' ' ' VAL . 43.1 t -85.42 -32.35 7.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.89000000000000001 112.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 113.457 0.91 . . . . 1.6799999999999999 113.457 -177.822 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.495 0.188 . . . . 1.3100000000000001 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.403 HG11 HG22 ' B' ' 23' ' ' VAL . 47.0 t -135.7 111.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.963 0.411 . . . . 1.22 110.719 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.81 152.68 44.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.674 -0.694 . . . . 1.4199999999999999 110.582 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.42 73.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.495 -0.32 . . . . 1.0700000000000001 111.559 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.17 -54.0 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.533 -0.303 . . . . 3.2999999999999998 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -67.62 -34.83 77.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.61 0.243 . . . . 0.79000000000000004 111.445 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.3 ttp180 -63.02 -51.53 66.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.065 0.459 . . . . 3.21 110.287 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -68.41 -32.37 72.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.587 -0.733 . . . . 2.0899999999999999 111.317 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' B' ' 37' ' ' LYS . 23.4 ttmm -64.55 -43.12 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.6599999999999999 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' B' ' 20' ' ' VAL . 46.1 t -66.46 -47.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.42999999999999999 110.649 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.89 -34.58 76.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 1.79 111.089 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.8 60.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.96 0.409 . . . . 0.69999999999999996 110.548 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.83 70.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.946 -0.57 . . . . 0.46999999999999997 111.119 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 68.7 mtt -59.06 -28.33 66.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.52000000000000002 110.366 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.74 -14.85 36.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.62 111.673 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.8 -47.22 8.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.03 0.443 . . . . 1.55 110.495 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -79.12 -24.51 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.626 . . . . 0.98999999999999999 111.029 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 42.5 t30 76.78 57.32 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 106.812 -1.551 . . . . 1.77 106.812 -176.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -56.62 114.83 2.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.097 -1.411 . . . . 1.3300000000000001 112.548 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -113.01 94.17 28.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 107.742 -1.207 . . . . 1.28 107.742 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -33.52 118.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.205 3.27 . . . . 0.82999999999999996 114.341 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -73.68 64.76 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.574 -0.739 . . . . 1.6399999999999999 109.374 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.452 HH11 ' HD3' ' B' ' 51' ' ' ARG . 13.5 mtm180 -50.7 -33.01 21.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.811 -1.086 . . . . 4.7599999999999998 112.979 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 86.3 m -58.37 -53.73 54.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.957 0.408 . . . . 0.69999999999999996 110.86 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.19 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.869 -0.605 . . . . 0.54000000000000004 111.318 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.45 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 80.3 mt-30 -71.47 -54.52 10.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.488 -0.324 . . . . 1.49 111.419 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.53 -35.51 70.39 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.983 -0.747 . . . . 2.52 108.983 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 53' ' ' ALA . 13.7 tp -64.22 -69.64 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.319 -1.309 . . . . 0.57999999999999996 111.002 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 O-C-N 124.37 1.044 . . . . 1.02 113.339 -177.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 N--CA 1.461 -0.414 0 CA-C-O 121.193 0.414 . . . . 1.3 111.681 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.769 HG11 ' HG ' ' A' ' 45' ' ' LEU . 39.6 t -66.98 135.01 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.518 -0.764 . . . . 0.54000000000000004 109.244 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.91 164.51 11.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.123 -0.49 . . . . 0.40999999999999998 111.229 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.796 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -64.14 -16.74 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.622 -0.717 . . . . 0.28999999999999998 110.761 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.06 -33.59 59.58 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.212 -0.662 . . . . 0.48999999999999999 109.212 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.46 -39.92 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.753 . . . . 1.75 109.625 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.29 -40.1 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 0.22 109.707 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.72 84.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.451 -0.795 . . . . 0.29999999999999999 110.2 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -73.78 -28.61 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.436 -0.802 . . . . 2.21 110.493 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.553 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.2 t80 -79.6 -38.23 34.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.797 -0.638 . . . . 1.49 111.297 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.58 -14.84 36.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.479 -0.328 . . . . 0.46000000000000002 111.437 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.09 39.92 22.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.52000000000000002 111.252 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.9 m -134.23 -170.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.705 -0.479 . . . . 0.35999999999999999 109.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -97.59 156.54 16.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.0 p90 -58.27 -35.7 72.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.484 -0.325 . . . . 1.3200000000000001 110.81 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 14.3 tp60 -64.63 -33.56 76.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.384 -0.599 . . . . 1.0900000000000001 109.384 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 m -68.0 -43.29 79.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.683 -0.689 . . . . 0.48999999999999999 109.35 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.0 t -60.03 -53.87 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.171 -0.922 . . . . 0.25 110.048 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -61.51 -30.35 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.87 110.44 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 1.016 ' HG3' HG22 ' A' ' 30' ' ' VAL . 11.0 tpp180 -62.54 -38.06 88.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.103 -0.703 . . . . 2.0299999999999998 109.103 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG13 ' HG3' ' A' ' 35' ' ' ARG . 71.1 t -80.76 -40.75 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 91.1 t -59.26 -43.02 88.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.171 -0.468 . . . . 0.40999999999999998 111.047 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -73.49 -27.88 61.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.418 -0.356 . . . . 1.72 111.211 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 60.28 41.71 16.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.481 0.657 . . . . 4.8799999999999999 109.712 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.79 -144.49 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.161 -0.927 . . . . 2.27 111.224 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.4 m -83.94 171.86 12.62 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.677 0.275 . . . . 1.52 111.547 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.38 33.06 16.61 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.585 0.754 . . . . 0.76000000000000001 112.39 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.016 HG22 ' HG3' ' A' ' 22' ' ' ARG . 2.1 t -120.3 117.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.351 -0.54 . . . . 1.1599999999999999 111.42 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.0 p -87.84 150.75 23.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.072 -0.714 . . . . 1.3 109.072 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.02 68.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.724 0.297 . . . . 1.0600000000000001 110.992 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.92 -52.39 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 3.3900000000000001 111.554 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.716 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.4 p -78.56 -29.34 46.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.65000000000000002 111.395 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.1 ttt-85 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.129 0.49 . . . . 3.3100000000000001 110.815 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.64 -22.05 51.29 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.216 0.821 . . . . 1.45 113.216 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.716 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 13.4 ptpt -91.69 -27.18 18.25 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.284 -0.566 . . . . 0.97999999999999998 110.899 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.5 t -77.63 -45.26 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.848 0.356 . . . . 0.35999999999999999 110.498 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 34.5 mt-10 -66.77 -25.1 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 1.5900000000000001 110.397 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.5 -30.7 33.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.447 . . . . 0.52000000000000002 110.612 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.562 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -77.11 -42.88 36.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.37 111.043 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.5 ptp -66.37 -11.8 53.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.059 -0.519 . . . . 0.39000000000000001 111.496 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.06 -15.73 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.424 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -85.51 -61.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.47 -0.786 . . . . 1.3600000000000001 111.337 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -77.8 3.57 13.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 1.8799999999999999 112.457 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 60.93 62.51 1.43 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.301 0.572 . . . . 2.0099999999999998 110.857 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.9 t80 -63.12 135.53 57.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.139 -0.937 . . . . 1.1599999999999999 111.143 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.64 105.92 56.72 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.651 -0.704 . . . . 1.1599999999999999 110.576 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.56 95.55 0.28 Allowed 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.463 2.109 . . . . 0.55000000000000004 110.34 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.76 107.97 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.54000000000000004 112.221 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -23.4 53.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.564 -0.744 . . . . 5.04 110.376 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.723 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -76.13 -39.04 56.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.575 . . . . 0.82999999999999996 110.208 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.75 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.868 -0.605 . . . . 0.45000000000000001 109.38 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.74 -38.39 86.54 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.13 -0.941 . . . . 1.21 110.05 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.25 -26.49 66.6 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.81 -0.632 . . . . 2.0099999999999998 110.696 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -86.51 -51.49 6.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.51000000000000001 111.016 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.0 71.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.407 0.623 . . . . 0.48999999999999999 110.712 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.676 0 CA-C-N 115.659 -0.701 . . . . 1.1399999999999999 111.53 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 56.3 t . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.11 0.481 . . . . 0.78000000000000003 110.531 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.403 HG22 ' ND2' ' B' ' 50' ' ' ASN . 15.9 p -97.04 166.03 11.79 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.688 -0.687 . . . . 0.5 110.782 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.487 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -77.98 -7.72 57.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.865 -1.161 . . . . 0.65000000000000002 107.865 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.449 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 15.7 m-85 -81.54 -39.51 24.55 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.972 -1.467 . . . . 1.27 110.056 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.04 -37.81 88.79 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.774 -0.648 . . . . 1.3100000000000001 110.078 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.569 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.6 t -61.76 -42.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.441 -0.8 . . . . 0.28000000000000003 110.559 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.561 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.12 -49.85 66.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 0.37 112.135 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 11.3 mm-40 -57.27 -43.28 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 2.3399999999999999 111.691 -178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.437 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.8 t80 -69.16 -42.07 76.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.5800000000000001 111.45 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -70.29 -25.09 63.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.488 -0.323 . . . . 0.64000000000000001 111.849 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.95 12.04 59.52 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.027 -0.606 . . . . 0.58999999999999997 112.171 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.11 170.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.553 0.216 . . . . 0.5 110.425 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.2 p -73.25 153.26 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.64000000000000001 108.81 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.79 -25.91 67.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.118 0.485 . . . . 1.49 110.513 -179.633 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.82 -21.26 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.96999999999999997 110.52 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -65.08 -36.26 83.75 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 107.796 -1.187 . . . . 0.54000000000000004 107.796 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' CG1' ' B' ' 38' ' ' VAL . 9.6 t -72.55 -47.05 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 114.647 -1.16 . . . . 0.44 108.842 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -50.51 -41.99 54.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.836 -0.62 . . . . 1.29 111.139 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -68.9 -49.87 54.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 2.6600000000000001 111.302 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.79 -39.55 80.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.099 0.476 . . . . 0.73999999999999999 110.509 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.54 -37.4 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.159 -0.928 . . . . 0.89000000000000001 111.146 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.94 0.4 . . . . 1.6799999999999999 111.745 -178.8 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.444 -0.744 0 N-CA-C 110.534 -0.173 . . . . 1.3100000000000001 110.534 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 30' ' ' VAL . 4.2 t -54.89 113.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.42 . . . . 1.22 110.554 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 168.33 19.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.577 -0.738 . . . . 1.4199999999999999 111.117 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.11 -40.45 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.684 0.278 . . . . 1.0700000000000001 111.699 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -59.86 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 3.2999999999999998 111.179 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -28.69 55.36 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.505 -0.316 . . . . 0.79000000000000004 111.278 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.2 ttm180 -63.89 -54.96 26.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.167 -0.469 . . . . 3.21 110.566 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.34 -22.25 65.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.511 . . . . 2.0899999999999999 110.465 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.6 OUTLIER -66.69 -47.43 72.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.319 0.58 . . . . 1.6599999999999999 109.768 178.721 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' B' ' 20' ' ' VAL . 93.2 t -66.16 -46.21 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.779 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 24.7 mt-10 -61.25 -33.49 73.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.082 -0.508 . . . . 1.79 111.12 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.02 67.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.69999999999999996 110.049 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.09 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.895 -0.593 . . . . 0.46999999999999997 110.608 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.7 mtt -58.07 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.52000000000000002 110.261 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.72 21.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.987 -0.552 . . . . 0.62 111.112 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -51.9 63.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 1.55 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.5 OUTLIER -80.8 -12.32 59.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.184 -0.462 . . . . 0.98999999999999999 110.546 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.42 ' O ' HG12 ' B' ' 48' ' ' ILE . 65.4 t30 62.37 56.1 2.19 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 107.274 -1.38 . . . . 1.77 107.274 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.4 t80 -52.6 106.78 0.17 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 114.137 -1.392 . . . . 1.3300000000000001 113.307 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.697 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 mm -113.89 93.69 30.43 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 106.962 -1.495 . . . . 1.28 106.962 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.488 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.8 Cg_exo -30.4 115.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.546 3.498 . . . . 0.82999999999999996 114.667 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.403 ' ND2' HG22 ' B' ' 5' ' ' THR . 6.0 p-10 -72.12 82.13 0.98 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.637 0.732 . . . . 1.6399999999999999 110.198 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -51.36 -32.69 26.69 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.428 -1.26 . . . . 4.7599999999999998 112.859 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.723 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 96.3 m -54.59 -49.41 70.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.69999999999999996 111.938 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.79 -26.79 19.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.54000000000000004 111.425 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 78.2 mt-30 -71.62 -49.9 35.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.734 -0.212 . . . . 1.49 111.51 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -65.62 -31.66 72.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.327 -0.62 . . . . 2.52 109.327 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 11.3 tp -62.43 -63.96 1.07 Allowed 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 114.924 -1.035 . . . . 0.57999999999999996 109.749 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 114.946 -1.024 . . . . 1.02 111.983 -179.034 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.932 0.305 . . . . 1.3 111.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.753 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.7 t -69.63 136.65 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.299 -0.63 . . . . 0.54000000000000004 109.299 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.9 167.42 9.8 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.976 0.417 . . . . 0.40999999999999998 111.239 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.75 -17.6 64.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.28999999999999998 110.427 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -73.81 -39.48 64.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.495 -0.558 . . . . 0.48999999999999999 109.495 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.84 -39.72 91.05 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.6 -0.727 . . . . 1.75 110.057 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.31 -40.97 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.391 -0.822 . . . . 0.22 109.726 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.23 95.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.058 -0.974 . . . . 0.29999999999999999 110.977 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.8 -37.02 76.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 2.21 111.327 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -73.44 -36.15 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.927 0.394 . . . . 1.49 111.033 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -84.19 -25.52 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.46000000000000002 111.059 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.98 32.24 15.11 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.94 -0.864 . . . . 0.52000000000000002 110.94 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.92 -170.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.159 -0.521 . . . . 0.35999999999999999 110.337 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -97.3 155.75 16.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.952 -0.759 . . . . 1.26 108.952 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.801 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -58.51 -33.4 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.79 -0.448 . . . . 1.3200000000000001 109.79 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.0 tp60 -65.09 -38.48 90.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.787 -0.642 . . . . 1.0900000000000001 109.569 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.1 m -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.48999999999999999 109.716 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.5 t -57.14 -51.8 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.25 110.673 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 m -59.43 -32.57 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.647 -0.251 . . . . 0.87 111.314 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HG22 ' A' ' 30' ' ' VAL . 90.6 mtt-85 -66.13 -31.06 71.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 2.0299999999999998 110.476 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' THR . 43.5 t -82.94 -42.76 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.44 110.6 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 47' ' ' TYR . 49.0 t -62.89 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 0.40999999999999998 111.096 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -83.03 -11.7 57.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.439 . . . . 1.72 111.202 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.87 51.61 10.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.607 -0.724 . . . . 4.8799999999999999 110.266 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.81 -155.32 0.44 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.227 -0.897 . . . . 2.27 111.084 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -97.64 177.98 5.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.409 -0.36 . . . . 1.52 110.629 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.8 m170 66.12 29.83 9.69 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.087 0.555 . . . . 0.76000000000000001 112.151 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -125.52 115.67 44.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.798 -0.361 . . . . 1.1599999999999999 111.105 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 p -80.35 150.16 29.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.972 -0.558 . . . . 1.3 109.646 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -57.16 -35.15 69.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.761 0.315 . . . . 1.0600000000000001 110.796 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -53.94 -46.14 71.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.647 -0.706 . . . . 3.3900000000000001 111.212 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -83.14 -33.13 26.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.285 -0.416 . . . . 0.65000000000000002 111.224 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -57.53 -45.94 84.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.908 0.385 . . . . 3.3100000000000001 111.129 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.3 mt-10 -68.44 -34.38 75.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.668 -0.696 . . . . 1.45 112.742 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.3 ptpt -78.9 -29.56 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.398 -0.521 . . . . 0.97999999999999998 110.982 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 85.4 t -78.12 -40.41 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.268 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.68 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 1.5900000000000001 110.067 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -83.08 -38.79 22.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.411 -0.813 . . . . 0.52000000000000002 110.821 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.43 89.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.37 111.837 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.674 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.0 ptp -69.81 -11.36 60.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.333 -0.394 . . . . 0.39000000000000001 110.867 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.88 -22.01 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.13 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 9.0 mm-40 -82.24 -49.98 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.311 -0.859 . . . . 1.3600000000000001 110.365 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.0 mt -80.7 -7.36 59.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.754 -1.112 . . . . 1.8799999999999999 111.56 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 m120 60.94 51.14 4.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.671 0.748 . . . . 2.0099999999999998 109.97 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.753 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.0 t80 -65.84 132.08 47.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.78 -1.1 . . . . 1.1599999999999999 111.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.57 112.44 51.3 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 1.1599999999999999 110.451 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.05 114.15 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.436 2.091 . . . . 0.55000000000000004 110.923 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.86 100.77 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.379 -0.373 . . . . 0.54000000000000004 111.707 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -21.16 64.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 5.04 110.766 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.736 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -76.25 -43.53 41.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.4 -0.593 . . . . 0.82999999999999996 109.4 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -70.12 -29.7 66.71 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.45000000000000001 109.246 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.06 -42.49 89.38 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.333 -0.849 . . . . 1.21 109.982 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.42 -39.53 92.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 2.0099999999999998 109.674 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.51 -54.05 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.67 -0.696 . . . . 0.51000000000000001 110.987 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.74 97.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.48999999999999999 111.902 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.948 -0.644 . . . . 1.1399999999999999 112.643 -179.774 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 45' ' ' LEU . 59.1 t . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.679 -0.489 . . . . 0.78000000000000003 109.679 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 25.3 p -95.86 173.16 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.258 -0.428 . . . . 0.5 109.862 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.766 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -82.47 -5.52 58.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.565 -1.272 . . . . 0.65000000000000002 107.565 179.196 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.403 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 5.8 m-85 -80.65 -38.68 28.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.884 -1.507 . . . . 1.27 109.084 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.54 -39.93 95.7 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.447 -0.797 . . . . 1.3100000000000001 109.813 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.1 t -61.66 -40.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 0.28000000000000003 111.022 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -62.73 -55.44 26.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.832 -0.622 . . . . 0.37 111.914 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.17 -46.87 84.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.588 -0.733 . . . . 2.3399999999999999 111.731 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.544 ' HB3' HD21 ' B' ' 45' ' ' LEU . 39.4 t80 -63.57 -44.59 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.369 0.507 . . . . 1.5800000000000001 112.369 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.805 0.336 . . . . 0.64000000000000001 111.819 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.04 57.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.58999999999999997 111.952 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.425 HG21 HG22 ' B' ' 38' ' ' VAL . 33.5 m -107.24 167.05 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.766 -0.457 . . . . 0.5 109.766 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 97.0 p -69.66 152.43 44.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.024 -0.732 . . . . 0.64000000000000001 109.024 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.766 ' CE1' HD23 ' B' ' 6' ' ' LEU . 69.5 t80 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.623 0.725 . . . . 1.49 110.137 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -62.24 -38.77 90.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.061 -0.972 . . . . 0.96999999999999997 111.135 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' B' ' 23' ' ' VAL . 24.2 m -56.88 -33.75 67.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.81 -0.632 . . . . 0.54000000000000004 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' B' ' 10' ' ' ALA . 8.1 t -71.41 -56.98 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.44 110.424 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 42.8 m -55.51 -28.37 54.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.838 0.351 . . . . 1.29 111.579 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -69.87 -48.8 57.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 2.6600000000000001 111.555 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.551 HG22 HG11 ' B' ' 30' ' ' VAL . 97.2 t -59.13 -31.28 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.653 0.74 . . . . 0.73999999999999999 110.044 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.47 -25.47 22.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.799 -1.091 . . . . 0.89000000000000001 111.344 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.234 0.263 0 N-CA-C 112.348 0.499 . . . . 1.6799999999999999 112.348 -178.778 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.34 0 CA-C-O 120.686 0.279 . . . . 1.3100000000000001 110.382 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.551 HG11 HG22 ' B' ' 23' ' ' VAL . 39.0 t -57.58 102.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.373 0.606 . . . . 1.22 111.588 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -66.19 157.9 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 1.4199999999999999 110.395 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.28 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.191 0.441 . . . . 1.0700000000000001 112.191 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -56.71 -45.57 81.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 3.2999999999999998 111.592 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.419 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -84.93 -30.44 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.288 -0.414 . . . . 0.79000000000000004 111.49 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.458 ' HB2' HG12 ' B' ' 30' ' ' VAL . 73.1 ttt180 -63.77 -52.23 61.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 3.21 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -64.67 -29.86 70.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 2.0899999999999999 110.779 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 7.5 tppt? -61.45 -43.56 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 1.6599999999999999 110.105 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' B' ' 20' ' ' VAL . 59.4 t -69.76 -48.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.53 -0.759 . . . . 0.42999999999999999 110.6 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.28 -40.64 82.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.017 -0.538 . . . . 1.79 111.193 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -67.15 -38.06 84.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.386 -0.37 . . . . 0.69999999999999996 110.613 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -31.87 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.018 -0.537 . . . . 0.46999999999999997 110.535 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -61.39 -23.73 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.259 0.552 . . . . 0.52000000000000002 110.159 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.46 -29.98 14.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.825 -0.625 . . . . 0.62 110.395 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 21.9 mm-40 -67.13 -56.77 8.59 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.099 -0.501 . . . . 1.55 110.661 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.7 OUTLIER -74.88 -16.68 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.98999999999999999 110.824 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 67.12 54.6 0.73 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.428 -1.323 . . . . 1.77 107.428 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.526 ' OH ' ' HB2' ' B' ' 6' ' ' LEU . 2.3 t80 -50.98 115.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.91 -1.495 . . . . 1.3300000000000001 112.799 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.49 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 32.0 mm -111.45 94.96 24.48 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 107.821 -1.178 . . . . 1.28 107.821 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -29.71 128.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 124.887 3.725 . . . . 0.82999999999999996 114.946 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 11.2 m-20 -68.52 75.55 0.27 Allowed 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.173 -0.922 . . . . 1.6399999999999999 110.041 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -50.87 -28.0 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.757 0.651 . . . . 4.7599999999999998 112.757 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 77.2 m -74.28 -60.56 2.21 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.378 0.51 . . . . 0.69999999999999996 112.378 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.46 -23.22 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.255 0.835 . . . . 0.54000000000000004 113.255 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 42.4 mt-30 -75.5 -44.85 41.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.89 0.314 . . . . 1.49 111.129 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -65.91 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.499 -0.926 . . . . 2.52 108.499 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.1 tp -65.97 -70.25 0.25 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.112 -1.404 . . . . 0.57999999999999996 110.527 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.06 -0.973 . . . . 1.02 111.981 -178.713 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 120.968 0.32 . . . . 1.3 111.7 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' B' ' 56' ' ' LEU . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 121.081 0.467 . . . . 0.78000000000000003 109.781 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.45 HG22 HD21 ' B' ' 50' ' ' ASN . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.444 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' B' ' 50' ' ' ASN . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' A' ' 56' ' ' LEU . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 ttp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.425 -0.213 . . . . 6.4100000000000001 110.425 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -108.07 98.84 28.09 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.791 -0.448 . . . . 4.7300000000000004 109.791 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.66 86.22 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.183 1.922 . . . . 1.3 111.223 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.782 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 58.8 t -68.82 132.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.476 -0.783 . . . . 0.54000000000000004 109.539 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.1 p -105.47 169.61 8.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.79 -0.641 . . . . 0.40999999999999998 110.122 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.959 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.85 0.357 . . . . 0.28999999999999998 111.047 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -76.77 -35.59 57.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.532 -0.544 . . . . 0.48999999999999999 109.532 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' HB2' HG13 ' A' ' 4' ' ' VAL . 14.2 m-20 -69.31 -37.58 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 1.75 109.766 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.64 -43.58 70.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.776 . . . . 0.22 109.871 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.88 75.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.285 -0.87 . . . . 0.29999999999999999 110.575 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -34.8 69.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.634 -0.712 . . . . 2.21 110.885 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 45' ' ' LEU . 23.9 t80 -77.62 -39.28 45.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 1.49 111.35 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 37' ' ' LYS . . . -84.54 -13.8 50.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.402 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.76 36.44 53.14 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.703 -0.76 . . . . 0.52000000000000002 111.329 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 13' ' ' ALA . 21.8 m -123.56 -166.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.535 . . . . 0.35999999999999999 110.111 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.477 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 26.1 p -100.18 155.85 17.52 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.959 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 49.7 p90 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 1.3200000000000001 109.808 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.0 tp60 -68.0 -38.31 82.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.554 -0.748 . . . . 1.0900000000000001 109.021 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 23' ' ' VAL . 90.3 m -63.37 -45.61 90.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.48999999999999999 109.49 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.7 t -58.14 -49.92 79.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.25 110.506 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -35.68 76.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 0.87 110.946 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.88 ' HB3' HG22 ' A' ' 30' ' ' VAL . 77.5 mtt-85 -68.83 -30.73 69.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.403 -0.362 . . . . 2.0299999999999998 110.378 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.5 t -76.86 -41.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.44 109.889 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.6 t -64.95 -41.7 92.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.818 -0.628 . . . . 0.40999999999999998 110.309 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.529 HD21 ' P ' ' D' ' 15' ' ' ' DT' . 14.8 m-80 -74.91 -40.88 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.517 -0.765 . . . . 1.72 111.853 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.476 HE22 ' NE ' ' A' ' 35' ' ' ARG . 23.6 mm-40 62.49 64.59 0.92 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.598 -0.519 . . . . 4.8799999999999999 109.598 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.75 -84.22 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.315 0.487 . . . . 2.27 112.315 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.3 168.02 20.73 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.283 -0.26 . . . . 1.52 110.934 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.81 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.2 OUTLIER 65.27 25.99 12.21 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.396 0.678 . . . . 0.76000000000000001 112.103 -179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.88 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -120.56 129.23 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 1.1599999999999999 111.385 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.5 p -98.56 152.87 19.11 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 1.3 108.938 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.96 71.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.947 0.403 . . . . 1.0600000000000001 110.685 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -57.4 -52.42 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.709 -0.678 . . . . 3.3900000000000001 111.248 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 p -77.21 -32.15 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.65000000000000002 112.153 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.476 ' NE ' HE22 ' A' ' 26' ' ' GLN . 16.1 ttt180 -58.33 -49.76 76.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.113 0.482 . . . . 3.3100000000000001 111.016 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -70.06 -20.81 63.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 1.45 111.664 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.65 ' HG2' ' HB1' ' A' ' 13' ' ' ALA . 23.8 ttpt -82.11 -35.33 28.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.269 0.557 . . . . 0.97999999999999998 110.202 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.6 t -75.53 -42.25 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.521 -0.763 . . . . 0.35999999999999999 110.672 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 38.1 mt-10 -64.75 -27.47 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.231 0.538 . . . . 1.5900000000000001 110.358 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.17 28.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.413 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -69.66 -39.72 76.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.233 -0.439 . . . . 0.37 111.246 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.883 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 16.7 ptp -71.25 -8.42 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.39000000000000001 110.725 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.44 -25.0 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.41 0.624 . . . . 0.53000000000000003 109.979 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -75.75 -52.36 10.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.197 -0.911 . . . . 1.3600000000000001 110.687 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -83.79 -8.49 59.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.068 -0.969 . . . . 1.8799999999999999 112.052 -178.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 63.63 64.98 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.563 0.697 . . . . 2.0099999999999998 109.689 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.883 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 14.1 t80 -77.13 133.37 39.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.944 -1.025 . . . . 1.1599999999999999 111.346 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.49 109.48 48.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.253 -0.885 . . . . 1.1599999999999999 110.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.85 123.27 12.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.788 2.325 . . . . 0.55000000000000004 111.449 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.408 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 63.3 m-80 -85.63 109.63 18.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.856 0.36 . . . . 0.54000000000000004 111.005 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.35 -26.08 55.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.483 . . . . 5.04 110.418 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.6 OUTLIER -70.77 -40.5 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.332 0.587 . . . . 0.82999999999999996 109.744 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.26 -31.48 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.304 -0.862 . . . . 0.45000000000000001 109.497 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 53.6 tt0 -67.76 -42.91 81.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.422 -0.808 . . . . 1.21 109.596 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.34 -36.6 84.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 2.0099999999999998 110.127 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.1 tp -72.75 -50.69 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.615 . . . . 0.51000000000000001 110.843 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -58.45 -34.5 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.631 -0.713 . . . . 0.48999999999999999 111.132 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.05 24.15 26.04 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.76 -0.734 . . . . 1.1399999999999999 111.858 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.6 tttm 69.62 104.62 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.462 0.705 . . . . 6.3499999999999996 110.548 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.95 113.11 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.566 -0.743 . . . . 6.5 111.61 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.81 161.1 17.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 7.21 110.595 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.494 -0.765 . . . . 9.6300000000000008 110.238 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.495 ' HG3' ' HG3' ' B' ' 2' ' ' LYS . 17.8 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.401 -0.222 . . . . 7.5 110.401 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 24.5 mtmm 56.78 69.92 1.58 Allowed Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 122.75 0.42 . . . . 4.8700000000000001 111.573 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.82 172.52 14.91 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.343 2.029 . . . . 1.49 112.091 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 95.4 t -123.32 130.67 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.78000000000000003 109.11 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 18.2 p -88.59 167.79 13.1 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.47 -0.332 . . . . 0.5 110.525 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.751 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -76.95 -8.49 57.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.3 -1.37 . . . . 0.65000000000000002 107.3 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.813 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 28.8 m-85 -78.38 -38.96 40.56 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.726 -1.579 . . . . 1.27 109.402 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.37 -41.61 96.61 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.527 -0.761 . . . . 1.3100000000000001 110.018 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.458 ' HA ' HD23 ' B' ' 45' ' ' LEU . 69.9 t -60.38 -44.92 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.121 -0.945 . . . . 0.28000000000000003 110.689 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -65.0 -46.83 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.37 111.036 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.05 -42.09 84.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.468 -0.787 . . . . 2.3399999999999999 111.623 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.491 ' CB ' HD21 ' B' ' 45' ' ' LEU . 64.1 t80 -72.22 -41.04 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.119 0.485 . . . . 1.5800000000000001 110.623 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.408 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.45 -23.63 65.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.64000000000000001 111.543 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.4 22.41 51.29 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.58999999999999997 112.014 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.432 HG11 HG22 ' B' ' 34' ' ' THR . 29.2 m -121.38 172.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.801 0.334 . . . . 0.5 110.207 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.49 152.72 41.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.781 -0.822 . . . . 0.64000000000000001 108.781 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.519 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.02 -22.49 66.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 1.49 110.767 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 35.1 mt-30 -74.11 -26.84 60.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.96999999999999997 109.988 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.67 -28.81 70.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.865 -0.607 . . . . 0.54000000000000004 109.39 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 t -73.86 -49.11 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.458 -0.942 . . . . 0.44 108.458 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.442 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 38.7 t -48.86 -37.32 19.2 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 121.173 0.511 . . . . 1.29 109.994 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' B' ' 30' ' ' VAL . 35.7 mmt180 -62.37 -61.56 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.767 . . . . 2.6600000000000001 110.494 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.686 HG22 HG11 ' B' ' 30' ' ' VAL . 61.5 t -56.62 -36.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.45 . . . . 0.73999999999999999 111.449 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.48 -33.65 45.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.859 -0.609 . . . . 0.89000000000000001 112.033 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.52 -73.26 0.65 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 113.243 0.831 . . . . 1.6799999999999999 113.243 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.66 86.05 7.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.679 -0.692 . . . . 4.0300000000000002 110.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -11.99 12.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.511 -0.768 . . . . 2.1499999999999999 111.654 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 30' ' ' VAL . 7.8 p -68.42 150.14 48.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.98 109.666 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.67 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 60.3 25.6 15.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.978 0.511 . . . . 1.3100000000000001 110.268 -178.011 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.686 HG11 HG22 ' B' ' 23' ' ' VAL . 47.4 t -126.48 105.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.762 -0.458 . . . . 1.22 109.762 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.08 154.85 41.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.567 -0.742 . . . . 1.4199999999999999 110.311 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.31 73.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.421 -0.354 . . . . 1.0700000000000001 110.44 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 14.4 tppt? -53.24 -56.66 14.73 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.179 -0.464 . . . . 3.2999999999999998 111.207 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.432 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.22 -39.32 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.345 . . . . 0.79000000000000004 111.571 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.575 ' HG3' HG13 ' B' ' 23' ' ' VAL . 29.6 ttm180 -59.28 -47.19 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 3.21 111.082 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.51 -40.46 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 2.0899999999999999 111.424 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 74.2 mttt -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.471 -0.331 . . . . 1.6599999999999999 111.199 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 34' ' ' THR . 88.2 t -65.74 -43.43 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 0.42999999999999999 110.422 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.23 -41.33 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 1.79 111.081 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.54 -36.82 76.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.69999999999999996 110.951 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.45 71.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.46999999999999997 111.207 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.2 mtt -61.22 -26.1 67.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.52000000000000002 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.44 -30.93 14.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.932 0.396 . . . . 0.62 110.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.84 -52.34 63.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.164 0.507 . . . . 1.55 110.852 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -84.35 -15.44 46.43 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.791 -0.64 . . . . 0.98999999999999999 110.964 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.475 ' O ' HG13 ' B' ' 48' ' ' ILE . 1.4 t30 67.4 58.17 0.54 Allowed 'General case' 0 N--CA 1.46 0.044 0 N-CA-C 107.48 -1.304 . . . . 1.77 107.48 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -50.82 113.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.076 -1.42 . . . . 1.3300000000000001 113.566 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.698 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 61.4 mt -123.2 94.39 47.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 114.524 -1.216 . . . . 1.28 107.875 176.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -38.67 138.81 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 124.256 3.304 . . . . 0.82999999999999996 114.976 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.498 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -62.59 97.13 0.09 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.281 -0.872 . . . . 1.6399999999999999 109.216 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 51' ' ' ARG . 52.0 mtm-85 -55.25 -32.93 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.117 0.414 . . . . 4.7599999999999998 112.117 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 35.0 m -81.74 -56.8 3.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.925 0.342 . . . . 0.69999999999999996 111.925 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.568 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -66.52 -38.88 88.15 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.434 0.902 . . . . 0.54000000000000004 113.434 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.407 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 12.9 mt-30 -71.18 -46.94 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.055 -0.258 . . . . 1.49 111.362 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 15.7 tm0? -57.75 -37.06 72.95 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.681 0.753 . . . . 2.52 108.992 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 1.033 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.4 tp -66.11 -66.65 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.318 -1.31 . . . . 0.57999999999999996 111.13 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.688 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -51.5 -31.58 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 124.172 0.92 . . . . 1.02 113.081 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.02 45.36 0.34 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.138 -1.03 . . . . 2.1299999999999999 113.6 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -153.77 65.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.21 0.528 . . . . 5.0700000000000003 110.627 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -71.11 -50.05 37.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.798 -0.637 . . . . 7.3399999999999999 109.942 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m 48.14 63.51 2.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.841 -0.618 . . . . 6.96 112.209 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.0 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.313 -0.851 . . . . 7.96 111.188 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.577 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 O4'-C1'-C2' 107.095 0.905 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.401 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.798 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.206 1.006 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.798 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.499 0 O4'-C1'-C2' 107.166 0.969 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.81 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 N19-C1'-C2' 116.642 1.526 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.477 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-N19 108.644 1.055 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.403 ' OP2' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.983 0.803 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.46 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.04 0.855 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C4'-C3'-C2' 102.24 -0.96 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.463 ' OP2' H2'' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.427 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.465 -0.735 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.614 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.096 0 C2'-C3'-O3' 115.794 1.924 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.813 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.902 2.627 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.751 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.491 0 O4'-C1'-N19 105.884 -2.395 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.442 ' H73' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 P-O3'-C3' 120.824 0.937 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.406 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C4'-C3'-C2' 102.332 -0.868 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.406 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 102.273 -0.927 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 O4'-C1'-C2' 106.983 0.803 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 102.17 -1.03 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.565 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.565 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 102.315 -0.885 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.452 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.126 0.933 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.426 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.432 -0.498 0 N19-C1'-C2' 115.846 1.029 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.421 ' C8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 O4'-C1'-C2' 107.123 0.93 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.051 0.865 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.069 0.881 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.67 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 N19-C1'-C2' 116.072 1.17 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 N19-C1'-C2' 116.172 1.232 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.621 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 C4'-C3'-C2' 102.248 -0.952 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.621 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.151 0.956 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.491 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.138 0.943 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.491 " H5'" " H1'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 O4'-C1'-N19 108.51 0.888 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.461 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 108.726 1.157 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.418 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.748 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-O3' 113.722 1.555 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 1.033 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 N19-C1'-C2' 116.541 1.463 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.613 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.615 2.269 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.593 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 102.417 -0.783 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.409 " H1'" " H5'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.142 0.948 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.435 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 102.402 -0.798 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.435 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.067 0.879 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 102.338 -0.862 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.5 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.072 0.884 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.508 " C2'" ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 N19-C1'-C2' 115.663 0.914 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.508 ' H71' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.03 0.845 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . 0.427 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.01 0.827 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttm . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.38 -0.23 . . . . 6.4100000000000001 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 52.2 mttp -77.64 117.96 68.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 4.7300000000000004 110.275 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 19.6 Cg_exo -65.8 138.19 52.41 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.193 2.596 . . . . 1.3 112.202 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.974 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.3 t -85.07 137.89 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.857 -0.611 . . . . 0.54000000000000004 109.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.537 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -104.24 168.7 8.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.882 -0.599 . . . . 0.40999999999999998 110.32 -179.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.829 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -63.15 -16.65 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.28999999999999998 111.233 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 73.6 m-85 -75.94 -38.7 57.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.48999999999999999 110.301 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.75 78.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.75 110.183 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.32 -41.64 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.686 -0.688 . . . . 0.22 109.59 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.24 -43.27 96.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.29999999999999999 111.073 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.6 mm-40 -66.18 -30.73 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 2.21 111.423 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 31.4 t80 -80.98 -35.11 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.692 0.282 . . . . 1.49 111.191 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.09 -11.42 52.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.46000000000000002 111.443 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 38.82 53.52 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.979 -0.848 . . . . 0.52000000000000002 110.979 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.0 m -132.61 -169.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.481 . . . . 0.35999999999999999 110.178 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -98.1 154.76 17.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.851 -0.613 . . . . 1.26 109.64 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.829 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 40.9 p90 -58.34 -32.49 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 1.3200000000000001 110.504 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.716 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -67.3 -36.31 81.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.86 -0.609 . . . . 1.0900000000000001 110.075 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -61.7 -43.77 98.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.094 -0.706 . . . . 0.48999999999999999 109.094 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.605 ' HA ' HG11 ' A' ' 38' ' ' VAL . 69.2 t -60.32 -45.98 95.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.702 -1.135 . . . . 0.25 109.957 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -58.78 -36.06 73.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.87 110.984 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 30' ' ' VAL . 33.3 mmt180 -63.09 -38.12 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.109 0.481 . . . . 2.0299999999999998 109.737 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG21 ' HB ' ' A' ' 38' ' ' VAL . 59.9 t -75.56 -42.75 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.427 -0.806 . . . . 0.44 111.049 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.8 t -64.04 -43.79 97.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.923 -0.581 . . . . 0.40999999999999998 110.392 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -31.11 64.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 1.72 111.407 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.45 35.11 14.98 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.494 0.664 . . . . 4.8799999999999999 109.907 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.15 -137.15 0.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.12 -0.945 . . . . 2.27 111.102 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 m -92.28 170.79 9.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.443 -0.344 . . . . 1.52 110.967 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.718 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.2 m170 64.99 32.8 10.24 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.544 0.738 . . . . 0.76000000000000001 112.016 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -123.61 116.67 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.185 0.517 . . . . 1.1599999999999999 111.84 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.453 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 90.7 p -90.43 152.35 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.763 -0.653 . . . . 1.3 109.337 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.86 -34.54 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 1.0600000000000001 110.55 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.94 -52.77 47.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.779 -0.646 . . . . 3.3900000000000001 111.276 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.776 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -81.88 -30.92 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.65000000000000002 111.835 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 35' ' ' ARG . 31.0 ttm180 -57.53 -38.71 75.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 3.3100000000000001 111.094 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.5 mt-10 -79.05 -28.76 43.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.677 0.621 . . . . 1.45 112.677 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.2 ptpt -82.42 -31.27 29.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.187 -0.605 . . . . 0.97999999999999998 110.823 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.9 t -75.88 -39.51 37.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.21 -0.45 . . . . 0.35999999999999999 110.329 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.49 -30.75 71.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.253 0.549 . . . . 1.5900000000000001 109.963 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.1 -41.73 27.96 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.682 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.87 92.04 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.98 0.419 . . . . 0.37 111.555 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 21.0 ptp -71.65 -8.64 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.39000000000000001 111.26 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.03 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 0.53000000000000003 109.984 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 mm-40 -72.65 -56.62 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.3600000000000001 110.805 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -80.03 -9.68 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.824 -1.08 . . . . 1.8799999999999999 112.273 -178.094 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.3 t30 68.34 63.02 0.36 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.713 0.768 . . . . 2.0099999999999998 109.173 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.974 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.4 t80 -66.79 138.53 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.743 -1.117 . . . . 1.1599999999999999 111.714 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mm -112.3 105.87 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.525 -0.761 . . . . 1.1599999999999999 110.916 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 108.06 2.02 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.693 2.262 . . . . 0.55000000000000004 111.338 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 61.1 m-80 -77.8 101.91 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 0.54000000000000004 111.433 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.3 mmt180 -71.09 -23.86 62.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 5.04 110.421 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.653 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -73.77 -39.42 64.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.82999999999999996 109.51 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.22 -32.02 71.94 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.45000000000000001 109.491 177.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.26 -37.41 87.12 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.155 -0.93 . . . . 1.21 110.002 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 85.4 mm-40 -67.63 -37.73 82.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.748 -0.66 . . . . 2.0099999999999998 110.536 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.8 tp -74.37 -53.38 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.582 -0.736 . . . . 0.51000000000000001 111.21 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.551 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.31 -35.18 76.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.48999999999999999 112.351 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' HA2' " H4'" ' D' ' 15' ' ' ' DT' . . . -72.6 -2.47 55.96 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 1.1399999999999999 113.056 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 55.45 31.57 17.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.085 0.469 . . . . 6.3499999999999996 110.297 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 56.13 36.37 27.28 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.199 -0.91 . . . . 6.5 111.077 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -142.13 74.43 1.45 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.641 -0.708 . . . . 7.21 110.63 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.295 -0.859 . . . . 9.6300000000000008 110.464 -179.734 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.6 mtt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.876 0.37 . . . . 7.5 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -124.84 157.66 65.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.075 -0.713 . . . . 4.8700000000000001 109.075 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.763 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 14.2 Cg_exo -70.38 80.08 1.09 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.532 2.155 . . . . 1.49 111.059 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.744 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.8 t -57.85 132.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.242 -0.89 . . . . 0.78000000000000003 109.975 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.1 p -87.68 172.3 9.8 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.362 -0.381 . . . . 0.5 110.157 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.784 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -76.21 -12.23 60.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 179.118 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.754 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 19.6 m-85 -76.24 -44.44 37.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.335 -1.302 . . . . 1.27 109.054 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.441 ' HB2' HG13 ' B' ' 4' ' ' VAL . 32.1 m-20 -64.14 -41.29 97.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 110.347 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 5' ' ' THR . 64.9 t -58.72 -41.23 81.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.98 -0.554 . . . . 0.28000000000000003 110.721 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.58 -52.93 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.556 -0.747 . . . . 0.37 111.728 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.6 mt-10 -60.44 -37.51 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.3399999999999999 111.233 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.454 ' CD1' HD21 ' B' ' 45' ' ' LEU . 87.4 t80 -64.08 -38.85 92.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 1.5800000000000001 110.718 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.706 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -76.96 -26.53 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.017 -0.538 . . . . 0.64000000000000001 111.234 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 -1.66 52.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.082 -0.58 . . . . 0.58999999999999997 112.221 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -95.34 178.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 122.277 0.231 . . . . 0.5 110.738 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -81.05 154.36 26.89 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.428 -0.952 . . . . 0.64000000000000001 108.428 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.62 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.05 -18.7 63.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.867 0.365 . . . . 1.49 111.01 -179.102 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.545 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 33.9 mt-30 -83.16 -17.37 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.96999999999999997 110.611 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -65.85 -29.87 70.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.102 -1.074 . . . . 0.54000000000000004 108.102 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.42 HG13 ' CG1' ' B' ' 38' ' ' VAL . 5.1 t -72.85 -50.75 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.891 -1.05 . . . . 0.44 108.793 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.467 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 1.8 m -47.12 -36.99 9.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.925 -0.58 . . . . 1.29 111.249 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -56.67 -60.69 3.18 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.505 -0.771 . . . . 2.6600000000000001 111.229 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 14.1 t -65.45 -36.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.242 -0.435 . . . . 0.73999999999999999 111.787 -178.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.74 -38.15 77.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.888 -0.596 . . . . 0.89000000000000001 112.255 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.452 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 42.1 m-80 -98.2 -75.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.513 . . . . 1.6799999999999999 111.397 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -118.29 84.98 2.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.615 -0.72 . . . . 4.0300000000000002 109.4 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.643 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . -50.77 95.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.079 0.862 . . . . 2.1499999999999999 112.131 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.0 p -167.99 -178.41 3.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.599 -1.26 . . . . 1.98 107.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.865 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 2.7 m170 59.32 32.92 22.25 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.222 0.534 . . . . 1.3100000000000001 109.883 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.27 136.52 56.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 1.22 109.089 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 41.26 0.95 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.552 -0.295 . . . . 1.4199999999999999 111.56 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 67.84 -61.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.579 0.751 . . . . 1.0700000000000001 111.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -59.17 -36.64 75.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 3.2999999999999998 110.837 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -64.64 -45.11 88.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.79000000000000004 110.334 179.173 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -62.63 -46.55 87.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.965 -0.562 . . . . 3.21 110.536 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.12 -38.59 91.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.62 -0.718 . . . . 2.0899999999999999 110.893 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.706 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.6 ttpt -66.55 -38.68 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 1.6599999999999999 111.287 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 34' ' ' THR . 95.2 t -70.8 -49.69 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.42999999999999999 110.632 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.24 -38.99 85.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.769 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.02 -40.13 83.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.69999999999999996 110.358 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.71 68.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.18 0.514 . . . . 0.46999999999999997 110.808 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtt -64.0 -21.72 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.452 -0.794 . . . . 0.52000000000000002 110.484 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.48 -33.17 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.62 111.213 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.4 mm-40 -62.07 -44.65 96.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.263 -0.426 . . . . 1.55 111.132 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -99.28 -9.57 23.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.98999999999999999 111.827 -179.197 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t30 67.36 65.73 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.789 -0.819 . . . . 1.77 108.789 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.744 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.8 t80 -56.62 119.99 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.755 -1.111 . . . . 1.3300000000000001 112.352 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.763 ' HB ' ' HA ' ' B' ' 3' ' ' PRO . 35.1 mm -124.89 96.01 41.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 107.971 -1.122 . . . . 1.28 107.971 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.01 134.75 10.86 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.244 2.63 . . . . 0.82999999999999996 113.326 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -58.17 95.73 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.726 -0.67 . . . . 1.6399999999999999 109.907 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -51.23 -32.51 24.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.002 0.741 . . . . 4.7599999999999998 113.002 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.653 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.9 m -81.63 -54.41 5.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.946 0.351 . . . . 0.69999999999999996 111.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -72.94 -37.02 67.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.182 0.808 . . . . 0.54000000000000004 113.182 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.571 ' HB3' ' HG2' ' B' ' 59' ' ' LYS . 6.9 mm-40 -68.0 -54.47 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.417 0.155 . . . . 1.49 111.417 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -58.65 -32.0 68.68 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.083 0.468 . . . . 2.52 110.307 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.979 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -67.24 -65.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.811 -1.086 . . . . 0.57999999999999996 110.46 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.738 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -55.06 -37.66 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.305 1.003 . . . . 1.02 112.575 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.81 -54.39 0.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.397 -0.906 . . . . 2.1299999999999999 112.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' B' ' 54' ' ' GLN . 5.7 tmtt? 62.83 89.5 0.09 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.352 0.596 . . . . 5.0700000000000003 110.976 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.87 131.52 53.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.554 -0.748 . . . . 7.3399999999999999 109.916 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -133.81 105.39 6.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 6.96 110.353 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.302 -0.856 . . . . 7.96 110.367 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.48 0 O4'-C1'-C2' 107.183 0.985 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.464 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 102.216 -0.984 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.666 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.888 0 N19-C1'-C2' 115.782 0.988 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.666 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 107.146 0.951 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.718 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.44 0.694 0 N19-C1'-C2' 116.405 1.378 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.514 H2'' ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 O4'-C1'-N19 108.609 1.011 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.514 ' H71' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.442 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-C2' 107.055 0.869 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.442 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 102.243 -0.957 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.431 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-N19 108.554 0.943 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.503 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C4'-C3'-C2' 102.33 -0.87 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.695 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.251 0 C2'-C3'-O3' 115.63 1.863 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.754 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-N19 109.749 2.437 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.784 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.408 0 C5'-C4'-C3' 118.084 2.256 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.484 ' OP2' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 P-O3'-C3' 120.981 1.067 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.442 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.591 0.988 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.449 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 106.929 0.754 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.424 ' C6 ' ' N6 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.242 1.039 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.541 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.541 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.151 0.956 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.474 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 N19-C1'-C2' 115.549 0.843 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.416 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.702 0.938 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.425 ' C8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.075 0.886 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.406 " H5'" " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.238 -0.962 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.623 " H2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.163 0.966 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.632 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 115.889 1.055 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.865 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.442 0.812 0 C2'-C3'-O3' 114.504 1.446 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.58 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 P-O3'-C3' 120.912 1.01 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.58 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 115.955 0.837 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.411 ' C4 ' ' N6 ' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C5'-C4'-C3' 116.21 1.007 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C2'-C3'-O3' 113.368 1.025 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-N19 108.512 0.89 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.407 ' OP2' H2'' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.819 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.735 0 C4'-C3'-O3' 113.295 1.361 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.979 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 N19-C1'-C2' 116.253 1.283 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.638 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 109.519 2.148 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.551 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.185 0 C5'-C4'-C3' 116.122 0.948 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.512 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.11 0.919 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.434 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 102.406 -0.794 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.434 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.08 0.891 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.222 -0.978 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.509 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.151 -1.049 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.509 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.08 0.891 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.454 ' H72' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.356 -0.844 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 106.958 0.78 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.994 0.425 . . . . 6.4100000000000001 110.625 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -120.91 104.71 41.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.283 0.563 . . . . 4.7300000000000004 110.965 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.16 114.23 3.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.851 2.367 . . . . 1.3 111.647 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.899 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 98.5 t -71.75 142.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 0.54000000000000004 110.168 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.5 p -106.69 165.14 11.52 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.674 -0.694 . . . . 0.40999999999999998 110.003 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.967 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.1 pt? -67.02 -12.92 61.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.774 0.321 . . . . 0.28999999999999998 110.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -77.49 -37.67 50.7 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.064 -0.517 . . . . 0.48999999999999999 109.659 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.88 -39.15 83.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.725 -0.67 . . . . 1.75 109.691 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.18 -44.12 81.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.22 110.052 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.8 92.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.482 -0.781 . . . . 0.29999999999999999 110.9 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.26 -32.22 69.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 2.21 111.124 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.66 -35.12 39.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 1.49 111.377 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.15 -11.84 48.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.963 0.411 . . . . 0.46000000000000002 111.068 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.31 31.95 53.27 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 111.398 -0.681 . . . . 0.52000000000000002 111.398 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.4 m -124.12 -166.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.373 . . . . 0.35999999999999999 110.279 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.472 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 27.3 p -104.52 155.15 19.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.327 -0.619 . . . . 1.26 109.327 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.967 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.6 p90 -61.04 -30.19 70.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.977 0.418 . . . . 1.3200000000000001 110.291 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HB3' ' H71' ' C' ' 7' ' ' ' DT' . 7.8 tp60 -68.4 -36.76 79.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.129 -0.693 . . . . 1.0900000000000001 109.129 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.3 m -64.01 -40.9 97.37 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.148 -0.686 . . . . 0.48999999999999999 109.148 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 63.2 t -59.64 -48.77 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.219 -0.901 . . . . 0.25 109.427 177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -61.96 -35.37 78.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.914 -0.584 . . . . 0.87 110.146 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.817 ' HG3' HG22 ' A' ' 30' ' ' VAL . 9.0 tpp180 -62.9 -35.94 81.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 2.0299999999999998 110.069 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.643 HG13 ' HG3' ' A' ' 35' ' ' ARG . 99.0 t -80.79 -46.18 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.593 -0.73 . . . . 0.44 111.089 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 59.8 t -63.27 -42.51 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.998 -0.547 . . . . 0.40999999999999998 111.34 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -76.38 -23.61 54.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.929 0.395 . . . . 1.72 111.065 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 59.55 46.5 12.0 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.42 -0.809 . . . . 4.8799999999999999 110.28 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.14 -141.58 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.27 111.099 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.56 176.32 6.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.846 -0.427 . . . . 1.52 109.846 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.754 ' CG ' ' H72' ' C' ' 4' ' ' ' DT' . 0.4 OUTLIER 59.81 33.29 21.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.39 0.515 . . . . 0.76000000000000001 112.39 -179.615 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -118.45 122.99 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.506 -0.478 . . . . 1.1599999999999999 111.257 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.0 p -101.64 151.93 21.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.743 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.21 77.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.935 0.346 . . . . 1.0600000000000001 111.935 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -53.83 -49.02 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.176 -0.465 . . . . 3.3900000000000001 111.29 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.613 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -79.06 -36.18 41.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.969 -0.559 . . . . 0.65000000000000002 111.64 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.643 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.3 ttt180 -55.04 -49.18 72.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 3.3100000000000001 111.87 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.7 -30.25 66.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.06 0.763 . . . . 1.45 113.06 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.6 ptpt -79.42 -27.71 41.73 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.229 -0.588 . . . . 0.97999999999999998 110.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.0 t -80.57 -41.34 20.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.228 -0.442 . . . . 0.35999999999999999 110.082 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.98 -26.79 68.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 1.5900000000000001 110.041 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -41.84 18.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.591 -0.731 . . . . 0.52000000000000002 110.826 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.24 86.9 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.37 111.21 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.798 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 23.3 ptp -72.49 -9.25 58.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.39000000000000001 110.564 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.53 -20.46 20.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 0.53000000000000003 109.941 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -76.13 -56.3 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.325 -0.852 . . . . 1.3600000000000001 110.764 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.25 -11.19 59.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.677 -1.147 . . . . 1.8799999999999999 111.066 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 66.65 64.83 0.48 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.494 -0.775 . . . . 2.0099999999999998 109.365 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 14.6 t80 -76.17 129.44 36.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.798 -1.092 . . . . 1.1599999999999999 111.145 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.64 110.4 49.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 1.1599999999999999 109.952 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.49 114.93 2.16 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.55000000000000004 111.547 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -75.1 103.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.54000000000000004 110.895 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.7 -22.96 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 5.04 110.878 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.769 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -71.89 -40.41 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.43 -0.582 . . . . 0.82999999999999996 109.43 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.616 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -72.48 -30.19 64.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.45000000000000001 109.83 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.89 -37.27 84.09 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.692 -0.685 . . . . 1.21 109.826 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.03 -24.16 61.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.244 0.545 . . . . 2.0099999999999998 110.171 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD11 " O4'" ' C' ' 12' ' ' ' DG' . 13.1 tp -81.05 -54.61 5.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.51000000000000001 110.062 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.52 -34.89 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.508 -0.769 . . . . 0.48999999999999999 111.13 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' HG2' ' A' ' 59' ' ' LYS . . . -80.38 -0.36 86.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.839 -0.696 . . . . 1.1399999999999999 112.431 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG2' ' C ' ' A' ' 58' ' ' GLY . 4.7 ptpp? 39.81 -138.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.114 0.966 . . . . 6.3499999999999996 112.052 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -102.37 83.53 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 6.5 110.735 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -124.83 101.73 7.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 7.21 110.552 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--O 1.252 1.217 0 CA-C-O 118.081 -0.961 . . . . 9.6300000000000008 110.865 -179.37 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.384 -0.228 . . . . 7.5 110.384 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt 62.09 70.56 0.82 Allowed Pre-proline 0 C--O 1.234 0.283 0 O-C-N 123.887 0.742 . . . . 4.8700000000000001 111.615 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -79.04 115.25 3.5 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.425 2.083 . . . . 1.49 112.222 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 66.4 t -83.55 145.34 8.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.909 -0.587 . . . . 0.78000000000000003 110.045 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.421 HG22 ' ND2' ' B' ' 50' ' ' ASN . 17.6 p -96.08 166.57 11.69 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.005 -0.543 . . . . 0.5 110.299 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.731 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -77.68 -10.91 59.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.632 -1.247 . . . . 0.65000000000000002 107.632 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.764 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 25.9 m-85 -76.0 -40.8 52.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 113.535 -1.666 . . . . 1.27 109.748 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -60.72 -38.45 85.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.684 -0.689 . . . . 1.3100000000000001 110.33 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.698 ' HA ' HD23 ' B' ' 45' ' ' LEU . 45.5 t -63.83 -39.2 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.254 -0.884 . . . . 0.28000000000000003 110.967 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.597 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -72.59 -48.84 36.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.37 111.744 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.9 -31.33 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.694 -0.685 . . . . 2.3399999999999999 111.965 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -79.37 -38.77 34.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.345 -0.388 . . . . 1.5800000000000001 111.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.49 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -74.44 -21.99 59.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 0.64000000000000001 111.893 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.36 38.15 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.974 -0.632 . . . . 0.58999999999999997 112.597 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.499 HG11 HG22 ' B' ' 34' ' ' THR . 21.1 m -119.14 179.15 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.953 -0.388 . . . . 0.5 109.953 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -75.72 156.62 34.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.589 -0.893 . . . . 0.64000000000000001 108.589 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.597 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.68 -22.14 66.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.461 0.648 . . . . 1.49 109.364 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -76.06 -23.87 55.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.608 -0.724 . . . . 0.96999999999999997 110.646 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.8 m -62.41 -36.87 83.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.006 -0.739 . . . . 0.54000000000000004 109.006 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.471 ' HA ' HG11 ' B' ' 38' ' ' VAL . 62.1 t -75.37 -39.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.947 -1.024 . . . . 0.44 108.863 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 1.9 t -57.37 -34.17 68.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.416 -0.811 . . . . 1.29 110.462 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 22.4 mmt180 -64.44 -48.07 76.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.679 -0.691 . . . . 2.6600000000000001 111.074 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.894 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 9.2 t -67.16 -38.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 0.73999999999999999 110.104 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 20.7 t -65.62 -37.58 80.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 0.89000000000000001 111.142 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.29 -74.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 1.6799999999999999 110.961 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -146.35 16.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.786 -0.643 . . . . 4.0300000000000002 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.894 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . 57.87 42.98 22.31 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.727 -0.67 . . . . 2.1499999999999999 110.881 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' B' ' 22' ' ' ARG . 7.9 t -111.19 156.52 21.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 1.98 109.677 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.3 OUTLIER 60.62 33.55 20.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.013 0.525 . . . . 1.3100000000000001 111.194 -178.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -135.21 123.49 39.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 178.361 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 171.94 12.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.279 -0.419 . . . . 1.4199999999999999 111.067 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.11 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.065 0.394 . . . . 1.0700000000000001 112.065 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -66.46 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.379 0.511 . . . . 3.2999999999999998 112.379 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.499 HG22 HG11 ' B' ' 15' ' ' VAL . 0.7 OUTLIER -95.88 -44.9 7.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.91 0.708 . . . . 0.79000000000000004 112.91 -178.117 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 75.9 ttt180 -57.03 -53.39 58.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.764 0.316 . . . . 3.21 111.378 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.75 -28.25 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.386 -0.37 . . . . 2.0899999999999999 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 22.1 ttmm -69.72 -42.4 74.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.378 -0.374 . . . . 1.6599999999999999 110.149 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 20' ' ' VAL . 77.6 t -63.74 -49.44 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.42999999999999999 110.28 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 38.7 mt-10 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 1.79 110.86 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.74 63.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.69999999999999996 110.713 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.77 70.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.535 . . . . 0.46999999999999997 111.187 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 65.8 mtt -59.39 -26.71 65.34 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.222 -0.445 . . . . 0.52000000000000002 110.621 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.06 -38.71 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.515 . . . . 0.62 110.832 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.67 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.729 -0.669 . . . . 1.55 110.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.3 OUTLIER -86.08 -10.81 54.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.305 -0.407 . . . . 0.98999999999999999 111.748 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 62.03 51.48 3.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.146 -1.427 . . . . 1.77 107.146 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -59.27 108.77 0.74 Allowed 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 114.023 -1.444 . . . . 1.3300000000000001 113.245 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.47 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 44.1 mm -120.32 94.14 48.56 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 106.513 -1.662 . . . . 1.28 106.513 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.44 119.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 124.633 3.555 . . . . 0.82999999999999996 114.195 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.421 ' ND2' HG22 ' B' ' 5' ' ' THR . 3.4 p-10 -67.19 88.34 0.17 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.403 -0.817 . . . . 1.6399999999999999 110.339 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -51.41 -31.02 21.25 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.614 -1.175 . . . . 4.7599999999999998 112.697 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.769 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.9 m -54.82 -49.91 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.836 0.351 . . . . 0.69999999999999996 111.524 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.502 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -93.42 -24.09 18.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 0.54000000000000004 111.453 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.01 -40.07 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.555 -0.293 . . . . 1.49 110.855 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.88 -38.51 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.428 -0.952 . . . . 2.52 108.428 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.977 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 8.3 tp -58.0 -67.19 0.37 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.749 -1.114 . . . . 0.57999999999999996 110.203 177.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.784 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -69.64 -80.29 0.05 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 1.02 111.329 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' B' ' 59' ' ' LYS . . . 54.34 63.04 5.54 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 116.22 -0.445 . . . . 2.1299999999999999 113.338 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.474 ' HG2' " H4'" ' C' ' 15' ' ' ' DT' . 53.7 mttt 70.4 120.81 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.316 0.579 . . . . 5.0700000000000003 111.603 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -75.55 -20.73 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.654 . . . . 7.3399999999999999 110.755 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -138.12 128.4 26.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 6.96 109.882 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.36 -0.828 . . . . 7.96 110.674 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 O4'-C1'-C2' 107.185 0.986 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.243 1.039 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.754 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 N19-C1'-C2' 115.869 1.043 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.552 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 N19-C1'-C2' 116.338 1.336 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.472 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 C4'-C3'-C2' 102.328 -0.872 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C4'-C3'-C2' 102.324 -0.876 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.48 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.084 0.894 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.429 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 C4'-C3'-C2' 102.29 -0.91 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.429 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.405 ' C5 ' ' C4 ' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.477 -0.723 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.622 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.448 1.278 0 C2'-C3'-O3' 115.428 1.788 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.784 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C1'-N19 109.319 1.899 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.731 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.52 0 C5'-C4'-C3' 118.142 2.295 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.474 " H4'" ' HG2' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.077 0.888 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.086 0.896 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 102.308 -0.892 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.485 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 106.988 0.807 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.468 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.344 -0.856 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.533 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.28 -0.92 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.533 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.065 0.877 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.48 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.036 0.851 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.709 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O5'-C5'-C4' 111.461 0.9 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 107.1 0.909 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.545 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 O4'-C1'-C2' 107.197 0.997 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.561 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.431 -0.554 0 N19-C1'-C2' 116.355 1.347 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.457 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 N19-C1'-C2' 116.256 1.285 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.531 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 102.17 -1.03 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.531 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-C2' 107.025 0.841 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.415 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.401 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C5'-C4'-C3' 116.516 1.211 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.401 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 C4'-C3'-C2' 102.419 -0.781 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-C2' 107.088 0.898 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.711 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-O3' 113.157 1.299 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.977 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.052 0 N19-C1'-C2' 116.639 1.525 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.618 ' OP2' ' HB3' ' A' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.626 2.283 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.557 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 102.331 -0.869 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.443 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.006 0.824 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.41 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C4'-C3'-C2' 102.265 -0.935 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.41 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 107.154 0.959 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.392 -0.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.459 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O4'-C1'-C2' 107.126 0.932 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.502 H2'' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.391 0.739 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.502 ' H71' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . 0.461 ' N4 ' ' C4 ' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 N19-C1'-C2' 115.409 0.755 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.909 -0.404 . . . . 6.4100000000000001 109.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.586 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 28.4 mtpp -69.8 -52.73 13.06 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.517 -0.311 . . . . 4.7300000000000004 111.618 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 16.8 Cg_exo -66.75 134.38 34.8 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.854 1.703 . . . . 1.3 111.854 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.931 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 82.4 t -73.25 135.53 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.394 -0.595 . . . . 0.54000000000000004 109.394 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -105.39 174.23 5.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.26 -0.427 . . . . 0.40999999999999998 110.612 -178.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.76 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -65.16 -17.67 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.498 -0.319 . . . . 0.28999999999999998 110.563 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -75.17 -38.43 60.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.48999999999999999 109.944 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.648 ' HB2' HG13 ' A' ' 4' ' ' VAL . 53.5 m-20 -66.92 -38.73 86.75 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.13 0.491 . . . . 1.75 109.846 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.84 -44.61 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 0.22 109.754 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.85 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.027 -0.988 . . . . 0.29999999999999999 110.83 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.05 -32.91 69.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.067 -0.515 . . . . 2.21 111.787 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 45' ' ' LEU . 32.5 t80 -78.06 -35.89 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.575 -0.284 . . . . 1.49 111.477 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -86.46 -18.09 32.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.38 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 36.69 15.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.685 -0.769 . . . . 0.52000000000000002 111.378 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' HD2' ' A' ' 37' ' ' LYS . 31.4 m -128.95 -174.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.087 -0.338 . . . . 0.35999999999999999 110.087 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.52 155.49 16.72 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.693 -0.484 . . . . 1.26 109.693 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.76 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 33.6 p90 -59.11 -33.69 71.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.808 0.337 . . . . 1.3200000000000001 110.727 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.65 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.1 tp60 -65.33 -35.54 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.278 -0.638 . . . . 1.0900000000000001 109.278 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -63.24 -42.8 99.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.48999999999999999 109.812 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 24' ' ' VAL . 83.6 t -60.5 -46.35 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.358 -0.837 . . . . 0.25 110.041 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -59.2 -31.78 69.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.743 -0.662 . . . . 0.87 111.023 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 37.7 mmt180 -63.01 -29.18 70.62 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.241 -0.436 . . . . 2.0299999999999998 110.599 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG22 HG11 ' A' ' 30' ' ' VAL . 13.3 t -92.62 -48.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.44 111.376 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.4 t -52.07 -48.34 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.711 -0.677 . . . . 0.40999999999999998 112.664 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -109.99 5.99 22.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.736 -0.386 . . . . 1.72 111.42 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 47.0 mt-30 54.02 57.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.768 . . . . 4.8799999999999999 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.89 30.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.424 -0.807 . . . . 2.27 111.384 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 7.5 t 60.59 -172.82 0.13 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.37 -0.832 . . . . 1.52 111.219 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.723 ' CG ' ' H72' ' C' ' 4' ' ' ' DT' . 0.8 OUTLIER 58.25 34.88 24.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.155 -0.475 . . . . 0.76000000000000001 111.805 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -127.83 131.1 70.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.014 0.435 . . . . 1.1599999999999999 110.948 178.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -101.01 169.44 8.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.359 -0.837 . . . . 1.3 109.962 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.75 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.641 0.258 . . . . 1.0600000000000001 110.808 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 24.6 mtmt -52.99 -46.37 68.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.836 -0.62 . . . . 3.3900000000000001 111.324 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.661 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -83.16 -41.12 18.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.65000000000000002 111.861 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.8 ttt180 -60.33 -38.7 84.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.86 0.318 . . . . 3.3100000000000001 111.86 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.01 -9.51 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.39 0.515 . . . . 1.45 112.39 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -103.14 -29.87 11.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.97999999999999998 110.351 179.056 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 42' ' ' MET . 92.5 t -76.72 -45.82 31.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.35999999999999999 110.706 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.512 ' HG3' HG11 ' A' ' 23' ' ' VAL . 40.6 mt-10 -68.02 -20.37 64.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.222 0.534 . . . . 1.5900000000000001 110.113 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -84.8 -43.53 14.11 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.507 -0.77 . . . . 0.52000000000000002 109.834 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.59 86.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.087 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.788 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.2 ptp -71.9 -11.37 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.09 -0.505 . . . . 0.39000000000000001 111.064 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.32 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.53000000000000003 109.72 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -72.37 -57.67 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.319 -0.855 . . . . 1.3600000000000001 111.103 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -81.28 -9.88 59.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.831 -1.077 . . . . 1.8799999999999999 111.918 -178.367 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.1 m120 67.75 63.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.618 0.723 . . . . 2.0099999999999998 109.667 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.931 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.1 t80 -65.62 136.35 56.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.649 -1.16 . . . . 1.1599999999999999 111.862 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 mm -109.06 107.29 59.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.412 -0.813 . . . . 1.1599999999999999 111.007 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.69 111.58 2.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.684 2.256 . . . . 0.55000000000000004 110.512 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' ND2' " H4'" ' D' ' 13' ' ' ' DG' . 48.3 m-80 -79.87 112.83 17.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.54000000000000004 111.802 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -76.97 -22.02 53.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.563 -0.744 . . . . 5.04 110.558 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -48.85 21.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.912 -0.586 . . . . 0.82999999999999996 109.847 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -61.29 -31.78 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.336 -0.847 . . . . 0.45000000000000001 110.281 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.24 -38.68 91.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.739 -0.664 . . . . 1.21 109.909 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 36.4 mt-30 -71.99 -42.13 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 2.0099999999999998 110.331 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.1 tp -65.9 -46.74 77.21 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 111.173 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.497 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -68.66 -23.08 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.48999999999999999 111.133 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 9.66 65.87 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.95 -0.568 . . . . 1.1399999999999999 112.411 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 63.7 mttm -99.8 176.01 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.509 0.195 . . . . 6.3499999999999996 110.475 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.543 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 23.2 tt0 -168.19 129.99 1.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.443 . . . . 6.5 110.214 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.74 117.74 35.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.408 -0.36 . . . . 7.21 110.745 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.489 -0.767 . . . . 9.6300000000000008 109.835 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.136 -0.32 . . . . 7.5 110.136 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.496 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 1.0 OUTLIER -58.34 -51.8 79.18 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.197 0.443 . . . . 4.8700000000000001 112.197 179.42 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 50.8 Cg_exo -55.49 146.95 60.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.261 1.974 . . . . 1.49 112.761 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.1 t -70.71 131.1 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.78000000000000003 110.233 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.4 p -89.37 175.26 7.39 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.932 -0.577 . . . . 0.5 110.746 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -81.13 -8.89 59.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.379 -1.341 . . . . 0.65000000000000002 107.379 178.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.75 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.4 m-85 -79.53 -44.46 21.13 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.496 -1.684 . . . . 1.27 109.576 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.47 -38.8 85.38 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.318 -0.855 . . . . 1.3100000000000001 110.338 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' B' ' 45' ' ' LEU . 68.0 t -60.4 -43.38 93.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.746 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.96 -48.51 65.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.37 111.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.89 -40.43 73.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.606 -0.725 . . . . 2.3399999999999999 111.818 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.572 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.6 t80 -73.53 -36.95 65.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.625 . . . . 1.5800000000000001 111.601 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.684 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -73.65 -22.87 59.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.64000000000000001 111.457 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.31 8.9 63.92 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.58999999999999997 112.265 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.25 169.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.131 -0.322 . . . . 0.5 110.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 148.22 44.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.809 -0.812 . . . . 0.64000000000000001 108.809 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -62.14 -21.55 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.373 . . . . 1.49 111.284 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 31.7 mt-30 -72.7 -24.0 60.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.06 0.457 . . . . 0.96999999999999997 109.874 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 51.8 m -68.08 -29.58 68.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.33 -0.989 . . . . 0.54000000000000004 108.33 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.407 HG13 HG11 ' B' ' 38' ' ' VAL . 15.0 t -69.8 -51.7 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.399 -0.963 . . . . 0.44 108.399 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.504 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 45.7 t -50.43 -36.2 32.08 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 120.906 0.384 . . . . 1.29 110.245 175.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 22.9 mtm180 -68.12 -51.54 45.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.055 -0.521 . . . . 2.6600000000000001 110.603 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.772 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.8 t -57.66 -33.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.386 0.612 . . . . 0.73999999999999999 110.669 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 71.2 t -81.82 -31.35 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.89000000000000001 112.177 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -128.45 -72.18 0.62 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.765 0.654 . . . . 1.6799999999999999 112.765 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.472 ' HB2' ' HG2' ' B' ' 22' ' ' ARG . 15.5 mm-40 -77.58 77.62 4.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.852 -0.613 . . . . 4.0300000000000002 111.323 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.68 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.461 -0.791 . . . . 2.1499999999999999 112.484 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.482 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.5 p -71.04 153.99 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.634 -0.506 . . . . 1.98 109.634 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.621 ' HB3' ' C6 ' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 59.22 29.38 18.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.833 0.453 . . . . 1.3100000000000001 110.821 -178.57 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 28' ' ' SER . 44.7 t -129.31 98.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.462 . . . . 1.22 110.881 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 159.05 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.654 -0.703 . . . . 1.4199999999999999 110.957 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.36 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 1.0700000000000001 110.86 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.69 -52.92 63.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.983 -0.553 . . . . 3.2999999999999998 111.561 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -68.62 -39.78 80.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.605 -0.271 . . . . 0.79000000000000004 111.468 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.772 ' HG3' HG13 ' B' ' 23' ' ' VAL . 45.1 ttt180 -60.98 -49.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 3.21 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.51 -33.99 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 2.0899999999999999 111.274 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.684 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.5 ttpt -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.877 0.37 . . . . 1.6599999999999999 110.25 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 34' ' ' THR . 84.4 t -70.54 -45.82 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.42999999999999999 110.282 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.27 -41.41 84.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 1.79 111.134 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.86 80.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.312 -0.404 . . . . 0.69999999999999996 110.554 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.46999999999999997 110.808 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 41.6 mtt -60.5 -23.82 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.54 . . . . 0.52000000000000002 110.24 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.71 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 0.62 110.367 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.77 -52.25 64.97 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 115.917 -0.583 . . . . 1.55 110.868 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.8 OUTLIER -81.53 -18.94 43.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 0.98999999999999999 111.299 -179.709 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.3 t30 69.85 59.78 0.28 Allowed 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 107.304 -1.369 . . . . 1.77 107.304 -176.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.5 t80 -49.08 118.88 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.129 -1.396 . . . . 1.3300000000000001 112.787 -178.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 46' ' ' ASN . 40.4 mt -116.87 94.51 44.44 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 107.304 -1.369 . . . . 1.28 107.304 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -28.21 122.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 125.014 3.809 . . . . 0.82999999999999996 114.902 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' B' ' 50' ' ' ASN . 0.1 OUTLIER -73.4 57.66 0.53 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.988 -1.006 . . . . 1.6399999999999999 110.349 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -48.1 -25.33 1.4 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.538 0.94 . . . . 4.7599999999999998 113.538 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 -69.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.69999999999999996 109.806 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.5 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.938 -0.574 . . . . 0.54000000000000004 111.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.76 -45.26 65.1 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 1.49 110.635 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.44 -35.34 77.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.807 -0.442 . . . . 2.52 109.807 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.904 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 16.7 tp -63.02 -57.82 9.38 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.355 -0.839 . . . . 0.57999999999999996 108.833 176.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.872 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -73.61 44.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 124.113 0.883 . . . . 1.02 112.782 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.92 61.6 2.65 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.603 -0.599 . . . . 2.1299999999999999 111.603 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.475 ' HA ' H5'' ' D' ' 12' ' ' ' DC' . 0.9 OUTLIER -66.96 -30.86 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.623 0.249 . . . . 5.0700000000000003 111.062 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -126.34 127.51 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 7.3399999999999999 109.954 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 11.9 m -88.73 41.04 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.939 0.4 . . . . 6.96 111.011 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.156 -0.926 . . . . 7.96 110.431 179.667 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.421 " H1'" " H5'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.51 0 O4'-C1'-C2' 107.128 0.935 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.421 " H5'" " H1'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.18 -1.02 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.452 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C1'-C2' 107.319 1.108 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.723 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.806 1.004 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.491 H2'' ' OP2' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 N19-C1'-C2' 116.617 1.511 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.491 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 O4'-C1'-N19 108.625 1.032 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.451 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.45 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.073 0.884 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.457 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.501 0.876 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.457 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.226 1.024 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.543 " H4'" ' HA ' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.568 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.004 0 C2'-C3'-O3' 115.27 1.73 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.872 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.638 2.297 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.749 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.543 1.57 0 C5'-C4'-C3' 118.495 2.53 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.504 ' H73' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.45 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.007 0.825 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 107.025 0.841 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.057 0.87 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.555 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C4'-C3'-C2' 102.313 -0.887 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.555 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.302 -0.898 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.5 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.25 -0.95 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.5 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 N19-C1'-C2' 115.67 0.919 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.52 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 O4'-C1'-C2' 107.116 0.924 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C4'-C3'-C2' 102.176 -1.024 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.761 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.094 0.904 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.761 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 N19-C1'-C2' 115.957 1.098 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.523 ' C7 ' ' HB2' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 115.995 1.122 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.647 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.147 0.952 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.647 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C5'-C4'-C3' 115.968 0.846 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.417 ' OP2' H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C1'-C2' 107.119 0.927 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C2'-C3'-O3' 113.163 0.949 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.485 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.522 0.902 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-N19 108.525 0.906 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.751 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.508 -0.992 0 C4'-C3'-O3' 113.386 1.403 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.904 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 N19-C1'-C2' 117.225 1.891 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.555 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C1'-N19 110.07 2.838 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.497 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.135 0 C4'-C3'-C2' 102.391 -0.809 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.477 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 102.19 -1.01 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.537 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.148 0.953 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.537 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.487 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C2'-C3'-O3' 112.955 0.872 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 106.982 0.802 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.47 0.176 . . . . 6.4100000000000001 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -70.65 130.61 88.63 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 4.7300000000000004 110.644 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.23 147.76 38.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.322 2.015 . . . . 1.3 110.917 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.759 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 76.7 t -66.62 129.68 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.118 -0.697 . . . . 0.54000000000000004 109.118 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.3 p -100.56 171.24 7.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.761 -0.654 . . . . 0.40999999999999998 110.106 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.727 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.44 -15.47 63.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.28999999999999998 110.545 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.96 -34.66 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.211 0.529 . . . . 0.48999999999999999 110.021 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.604 ' HB2' HG13 ' A' ' 4' ' ' VAL . 17.9 m-20 -72.95 -36.85 67.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.576 -0.738 . . . . 1.75 109.622 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.48 -44.69 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.425 -0.807 . . . . 0.22 109.91 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.41 98.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.025 -0.989 . . . . 0.29999999999999999 110.788 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -66.07 -41.91 90.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.848 -0.614 . . . . 2.21 111.458 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -70.93 -35.07 72.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 1.49 111.819 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.42 -20.36 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.93 0.395 . . . . 0.46000000000000002 111.373 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.63 37.35 12.05 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.983 -0.847 . . . . 0.52000000000000002 110.983 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.1 m -130.01 -165.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.712 -0.477 . . . . 0.35999999999999999 109.712 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 19.1 p -107.82 152.91 23.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.727 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.9 p90 -55.63 -33.78 64.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 1.3200000000000001 110.526 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 22' ' ' ARG . 63.3 tp60 -65.58 -36.0 82.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0900000000000001 109.823 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 23' ' ' VAL . 91.2 m -66.92 -41.71 86.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.756 -0.831 . . . . 0.48999999999999999 108.756 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.561 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.03 -45.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 0.25 109.877 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.685 -0.689 . . . . 0.87 110.75 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HB3' HG22 ' A' ' 30' ' ' VAL . 58.2 mtt180 -66.37 -30.97 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.0299999999999998 110.305 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 35' ' ' ARG . 46.4 t -81.05 -47.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.816 -0.629 . . . . 0.44 110.366 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.4 t -59.75 -46.65 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.177 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.81 -15.57 57.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 1.72 111.094 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 59.83 55.57 3.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.45 0.643 . . . . 4.8799999999999999 110.121 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.02 -148.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.229 -0.896 . . . . 2.27 111.377 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -100.57 -176.58 3.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 1.52 110.787 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.717 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.4 OUTLIER 62.0 27.42 16.61 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.037 0.535 . . . . 0.76000000000000001 111.777 -178.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -120.12 105.7 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 120.63 -0.428 . . . . 1.1599999999999999 111.667 -179.42 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -73.45 153.74 40.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.13 -0.693 . . . . 1.3 109.13 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.3 -43.01 78.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.171 0.434 . . . . 1.0600000000000001 112.171 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -56.38 -47.01 79.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.339 -0.391 . . . . 3.3900000000000001 111.998 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.632 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -73.8 -37.35 64.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.047 -0.261 . . . . 0.65000000000000002 111.582 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HG3' HG13 ' A' ' 23' ' ' VAL . 31.4 ttt180 -60.06 -43.07 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.736 0.303 . . . . 3.3100000000000001 111.376 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 20.0 mt-10 -75.73 -21.65 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.263 0.468 . . . . 1.45 112.263 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.632 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -89.03 -28.56 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.225 -0.59 . . . . 0.97999999999999998 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 20' ' ' VAL . 72.4 t -73.7 -43.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.823 -0.436 . . . . 0.35999999999999999 109.823 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.6 mt-10 -64.69 -29.31 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 1.5900000000000001 109.898 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.45 60.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.781 . . . . 0.52000000000000002 110.692 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.84 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.37 111.752 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.738 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.6 ptp -70.45 -11.26 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.277 -0.42 . . . . 0.39000000000000001 110.81 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.86 15.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.084 0.469 . . . . 0.53000000000000003 110.368 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.45 -51.58 34.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.839 0.828 . . . . 1.3600000000000001 110.52 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.6 mt -82.41 -13.35 56.95 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.649 -1.159 . . . . 1.8799999999999999 111.78 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.51 67.18 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.815 0.817 . . . . 2.0099999999999998 109.532 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.3 t80 -69.38 138.91 54.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.293 -1.321 . . . . 1.1599999999999999 111.992 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -109.11 107.06 59.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.671 -0.695 . . . . 1.1599999999999999 110.902 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.33 103.75 1.14 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.643 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 60.7 m-80 -74.56 111.96 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.393 0.516 . . . . 0.54000000000000004 112.393 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -84.11 -21.94 31.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.73 -37.51 70.58 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.429 -0.952 . . . . 0.82999999999999996 108.429 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.614 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -70.95 -30.97 67.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.997 -1.001 . . . . 0.45000000000000001 109.185 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.48 -36.13 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.508 -0.769 . . . . 1.21 109.743 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.67 -30.65 71.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.393 0.616 . . . . 2.0099999999999998 109.486 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.699 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 9.0 tp -80.81 -55.4 4.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.209 -0.905 . . . . 0.51000000000000001 110.673 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.91 -26.3 68.25 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.015 -0.539 . . . . 0.48999999999999999 112.408 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.01 12.43 64.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.02 -0.609 . . . . 1.1399999999999999 112.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -121.79 39.91 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.935 0.398 . . . . 6.3499999999999996 110.611 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.887 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 77.1 mt-30 -66.6 90.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.135 0.493 . . . . 6.5 111.722 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -168.19 158.67 10.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 7.21 109.908 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.559 -0.734 . . . . 9.6300000000000008 110.795 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 110.135 -0.32 . . . . 7.5 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -112.09 121.27 39.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.621 -0.263 . . . . 4.8700000000000001 110.849 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.664 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 32.6 Cg_endo -64.62 157.97 52.64 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.734 2.29 . . . . 1.49 111.494 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.945 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 57.5 t -132.9 144.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.959 0.409 . . . . 0.78000000000000003 110.475 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.0 p -91.26 167.46 12.3 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.148 -0.478 . . . . 0.5 110.063 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.698 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -81.04 -8.1 59.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.128 -1.064 . . . . 0.65000000000000002 108.128 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.718 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.2 m-85 -79.81 -41.37 26.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.692 -1.595 . . . . 1.27 109.38 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.42 -37.33 87.15 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.474 -0.785 . . . . 1.3100000000000001 110.166 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' B' ' 45' ' ' LEU . 83.2 t -58.73 -39.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.39 -0.823 . . . . 0.28000000000000003 110.357 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.53 -47.78 62.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.37 111.532 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 46.5 mt-10 -57.45 -40.67 78.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 2.3399999999999999 111.767 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.4 ' CB ' HD21 ' B' ' 45' ' ' LEU . 30.7 t80 -75.36 -35.55 61.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.518 -0.31 . . . . 1.5800000000000001 111.835 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.99 -27.38 60.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.64000000000000001 111.454 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.28 35.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.58999999999999997 112.013 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.444 HG11 HG22 ' B' ' 34' ' ' THR . 30.7 m -121.33 175.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.797 -0.446 . . . . 0.5 109.797 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 90.6 p -77.37 155.49 31.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.103 -0.703 . . . . 0.64000000000000001 109.103 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.57 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -61.16 -26.68 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 1.49 110.081 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.37 -30.78 68.85 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.96999999999999997 110.515 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -61.57 -37.13 82.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.093 -0.706 . . . . 0.54000000000000004 109.093 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' CG1' ' B' ' 38' ' ' VAL . 37.0 t -72.77 -42.63 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.158 -0.928 . . . . 0.44 108.812 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.462 ' OG ' ' H73' ' C' ' 15' ' ' ' DT' . 2.0 t -54.78 -38.49 67.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.471 -0.786 . . . . 1.29 110.29 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 38.5 mmt180 -62.1 -54.04 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.624 -0.716 . . . . 2.6600000000000001 110.938 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.522 HG22 HG11 ' B' ' 30' ' ' VAL . 13.7 t -61.3 -36.16 71.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.171 0.51 . . . . 0.73999999999999999 110.411 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.41 HG21 HD12 ' B' ' 6' ' ' LEU . 3.5 t -67.8 -36.65 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.89000000000000001 111.054 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -72.55 -73.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 1.6799999999999999 110.868 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.23 41.06 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.874 -0.603 . . . . 4.0300000000000002 110.506 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.61 -117.15 0.41 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.815 -0.63 . . . . 2.1499999999999999 109.977 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 77.2 p 58.94 120.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.164 0.986 . . . . 1.98 111.921 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.805 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.4 OUTLIER 64.3 29.48 13.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.969 -0.56 . . . . 1.3100000000000001 110.844 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.522 HG11 HG22 ' B' ' 23' ' ' VAL . 13.1 t -131.95 104.96 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 1.22 110.115 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 154.38 35.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 1.4199999999999999 110.393 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.29 -41.39 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.234 0.334 . . . . 1.0700000000000001 111.719 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 45.3 mtmt -58.14 -52.62 64.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.15 -0.477 . . . . 3.2999999999999998 110.58 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.444 HG22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.79000000000000004 111.088 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 3.21 110.476 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.34 -38.86 91.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.5 -0.773 . . . . 2.0899999999999999 111.252 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 98.6 mttt -60.86 -46.25 91.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.6599999999999999 110.38 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.437 ' CG1' HG13 ' B' ' 20' ' ' VAL . 95.2 t -64.52 -51.22 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.653 -0.703 . . . . 0.42999999999999999 110.717 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.2 -43.38 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 1.79 111.125 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.15 89.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.69999999999999996 110.983 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.19 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.46999999999999997 110.627 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.2 mtt -63.91 -24.02 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 109.757 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.0 -37.13 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.62 110.26 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.39 -47.91 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.982 -0.553 . . . . 1.55 110.643 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.1 OUTLIER -78.6 -22.2 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.532 -0.758 . . . . 0.98999999999999999 111.796 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 68.97 54.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.72 -1.585 . . . . 1.77 106.72 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.945 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -52.66 108.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.65 -1.613 . . . . 1.3300000000000001 113.211 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.664 ' HB ' ' HA ' ' B' ' 3' ' ' PRO . 51.5 mm -110.53 96.19 26.41 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.255 -1.387 . . . . 1.28 107.255 176.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -30.86 130.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.042 3.828 . . . . 0.82999999999999996 115.255 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.43 66.45 0.68 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 114.856 -1.066 . . . . 1.6399999999999999 109.833 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -42.76 -43.46 3.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.646 0.98 . . . . 4.7599999999999998 113.646 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 63.2 m -58.77 -54.78 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 0.69999999999999996 112.063 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -79.4 -27.64 41.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.54000000000000004 111.954 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.461 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 51.2 mt-30 -72.63 -46.26 54.93 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.89 0.33 . . . . 1.49 111.89 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.05 -28.43 66.54 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.589 -0.523 . . . . 2.52 109.589 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.981 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -70.63 -70.6 0.29 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.57999999999999996 109.788 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.908 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -54.19 -34.71 61.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.97 -1.014 . . . . 1.02 112.763 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.72 61.37 0.91 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.875 -0.679 . . . . 2.1299999999999999 112.144 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -51.27 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.353 0.597 . . . . 5.0700000000000003 110.227 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -90.09 84.59 6.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.718 -0.673 . . . . 7.3399999999999999 110.518 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -103.15 -28.06 12.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.179 -0.464 . . . . 6.96 110.688 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.317 -0.849 . . . . 7.96 110.684 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.424 ' C8 ' " O5'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.189 0.99 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.111 0.919 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.803 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.897 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.803 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.696 1.12 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.717 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 N19-C1'-C2' 116.22 1.263 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.526 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.475 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.455 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.176 0.978 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.455 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 102.231 -0.969 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.449 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.667 1.084 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.887 " H4'" ' HA ' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 106.944 0.767 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.699 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.196 0 C2'-C3'-O3' 115.916 1.969 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.908 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 117.752 2.034 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.698 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.162 0 C5'-C4'-C3' 118.14 2.293 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.462 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.07 0.882 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.203 -0.997 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.47 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.162 0.965 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.292 -0.908 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.52 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.086 0.897 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.52 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.719 0 O4'-C1'-C2' 107.078 0.889 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 N19-C1'-C2' 115.531 0.832 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.402 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 107.077 0.889 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.572 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.524 -0.391 0 O4'-C1'-C2' 107.153 0.958 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.461 ' C4 ' ' N7 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.266 -0.934 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.515 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.184 0.985 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.805 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 N19-C1'-C2' 116.102 1.189 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.496 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 N19-C1'-C2' 116.653 1.533 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.77 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-N19 108.715 1.143 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.77 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C5'-C4'-C3' 116.106 0.937 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 102.355 -0.845 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 C2'-C3'-O3' 113.681 1.141 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 O4'-C1'-N19 108.514 0.893 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.813 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-O3' 113.173 1.306 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.981 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 116.676 1.548 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.614 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 109.489 2.112 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.528 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 N19-C1'-C2' 115.669 0.918 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.407 " H1'" " H5'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.407 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 106.928 0.752 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 102.305 -0.895 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.496 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.503 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.03 0.845 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.503 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C2'-C3'-O3' 113.022 0.897 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . 0.462 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.154 0.958 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.798 0.332 . . . . 6.4100000000000001 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -159.93 81.71 2.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 4.7300000000000004 110.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.17 147.03 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.286 1.991 . . . . 1.3 112.225 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.719 HG11 ' HG ' ' A' ' 45' ' ' LEU . 87.2 t -90.88 134.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.944 -0.762 . . . . 0.54000000000000004 108.944 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.02 171.75 7.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.743 0.306 . . . . 0.40999999999999998 110.957 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.0 pt? -65.63 -17.11 64.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.28999999999999998 110.524 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.24 -33.9 61.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.48999999999999999 109.309 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.35 -40.32 81.58 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.489 -0.778 . . . . 1.75 109.65 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.81 -44.15 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.22 110.165 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.87 79.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.939 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.62 -27.23 51.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.363 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.7 t80 -77.41 -36.93 52.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 1.49 110.435 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -89.52 -17.13 29.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.46000000000000002 111.729 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.65 39.88 16.61 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 110.991 -0.843 . . . . 0.52000000000000002 110.991 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG21 HG22 ' A' ' 38' ' ' VAL . 22.8 m -131.21 -172.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.153 -0.524 . . . . 0.35999999999999999 109.625 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.9 p -96.68 158.07 15.6 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.238 -0.653 . . . . 1.26 109.238 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.681 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 51.5 p90 -62.7 -25.58 68.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.279 -0.638 . . . . 1.3200000000000001 109.279 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.665 ' HB2' ' H71' ' C' ' 7' ' ' ' DT' . 20.1 tp60 -67.2 -35.22 79.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.175 -0.921 . . . . 1.0900000000000001 109.328 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -67.79 -41.26 83.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.738 -0.665 . . . . 0.48999999999999999 109.558 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.594 ' HA ' HG11 ' A' ' 38' ' ' VAL . 92.4 t -60.0 -53.62 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.467 -0.788 . . . . 0.25 110.062 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 t -62.09 -29.89 70.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.388 -0.369 . . . . 0.87 110.344 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -59.42 -27.09 65.73 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.581 -0.736 . . . . 2.0299999999999998 111.277 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG22 HG11 ' A' ' 30' ' ' VAL . 21.6 t -102.61 -48.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.393 -0.367 . . . . 0.44 111.347 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 20' ' ' VAL . 42.9 t -55.6 -51.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.771 1.026 . . . . 0.40999999999999998 113.771 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -130.76 22.37 5.02 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.625 0.972 . . . . 1.72 113.625 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' OE1' ' HD2' ' A' ' 22' ' ' ARG . 66.0 mt-30 -129.1 -53.38 1.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.712 -0.795 . . . . 4.8799999999999999 112.074 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.4 38.93 12.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.546 0.689 . . . . 2.27 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.4 t -155.17 158.01 38.29 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.971 -1.013 . . . . 1.52 108.297 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.717 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.8 m170 64.5 28.63 13.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.813 0.279 . . . . 0.76000000000000001 110.959 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -125.43 126.82 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.71 -0.478 . . . . 1.1599999999999999 109.71 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.008 -0.542 . . . . 1.3 111.573 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.24 -62.02 0.06 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.723 0.268 . . . . 1.0600000000000001 111.723 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -54.97 -42.66 72.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.92 0.391 . . . . 3.3900000000000001 110.796 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.6 -42.25 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.65000000000000002 111.229 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -64.75 -41.2 96.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.427 . . . . 3.3100000000000001 110.487 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.33 -21.51 62.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 1.45 112.375 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 16.8 ptpt -93.18 -27.57 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.795 -0.362 . . . . 0.97999999999999998 110.63 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.4 t -75.34 -45.87 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.35999999999999999 110.782 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.67 -20.35 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 1.5900000000000001 110.42 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -85.04 -42.32 14.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.772 -0.649 . . . . 0.52000000000000002 110.07 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.43 -43.3 90.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.851 -0.613 . . . . 0.37 111.654 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.711 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -66.37 -10.01 39.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.39000000000000001 111.604 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.62 -11.73 21.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.211 0.529 . . . . 0.53000000000000003 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 8.1 mm-40 -84.8 -59.54 2.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.672 -0.695 . . . . 1.3600000000000001 110.771 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.62 1.35 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.295 -0.866 . . . . 1.8799999999999999 112.03 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.48 70.6 0.52 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.443 0.64 . . . . 2.0099999999999998 111.147 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.711 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 8.6 t80 -76.82 131.15 38.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.703 -0.68 . . . . 1.1599999999999999 110.656 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.41 106.37 57.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.683 -0.689 . . . . 1.1599999999999999 110.992 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.68 116.94 3.96 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.374 2.049 . . . . 0.55000000000000004 110.285 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -83.64 113.3 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.114 0.483 . . . . 0.54000000000000004 111.988 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 38.1 mtm180 -73.65 -30.23 62.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 5.04 110.821 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.673 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -69.87 -41.06 75.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.82999999999999996 110.263 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.95 -32.76 74.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.914 -0.585 . . . . 0.45000000000000001 109.536 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -64.9 -40.27 94.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 1.21 110.292 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 92.6 mt-30 -66.47 -45.37 79.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 2.0099999999999998 110.366 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.3 tp -64.43 -50.57 67.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.484 -0.78 . . . . 0.51000000000000001 111.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -66.81 -26.65 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.717 -0.674 . . . . 0.48999999999999999 112.117 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -12.3 69.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.048 -0.596 . . . . 1.1399999999999999 112.515 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -93.65 160.76 14.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.057 -0.349 . . . . 6.3499999999999996 110.057 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 2.4 pm0 -150.62 167.17 28.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.509 -0.314 . . . . 6.5 110.229 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m 66.5 -168.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.522 0.514 . . . . 7.21 110.826 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.775 -0.631 . . . . 9.6300000000000008 110.433 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.1 ptp . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.912 0.387 . . . . 7.5 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.612 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 60.0 mttm -99.55 -56.0 0.16 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 112.141 0.423 . . . . 4.8700000000000001 112.141 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 17.3 Cg_exo -67.37 139.05 48.38 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.788 1.659 . . . . 1.49 112.125 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 61.7 t -76.43 130.18 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.813 -0.44 . . . . 0.78000000000000003 109.813 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.464 HG22 HD22 ' B' ' 50' ' ' ASN . 24.0 p -93.03 176.68 6.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.27 -0.423 . . . . 0.5 109.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.769 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -79.9 -10.25 59.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.714 -1.217 . . . . 0.65000000000000002 107.714 179.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.774 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 18.6 m-85 -78.59 -40.11 35.55 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.696 -1.593 . . . . 1.27 109.75 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.16 -37.27 85.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.764 -0.653 . . . . 1.3100000000000001 110.015 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.37 -36.78 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.91 . . . . 0.28000000000000003 110.567 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.43 -55.02 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.37 111.726 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.611 . . . . 2.3399999999999999 111.622 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.497 ' CD1' HD21 ' B' ' 45' ' ' LEU . 68.3 t80 -67.58 -44.88 77.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 1.5800000000000001 111.025 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.54 -18.21 59.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.129 0.49 . . . . 0.64000000000000001 111.707 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.97 14.45 67.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.95 -0.643 . . . . 0.58999999999999997 112.333 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.08 176.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.671 -0.492 . . . . 0.5 109.671 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 83.4 p -78.29 157.05 29.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.502 -0.925 . . . . 0.64000000000000001 108.502 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.725 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -68.37 -15.86 63.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.505 0.669 . . . . 1.49 109.852 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -78.39 -27.54 46.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.246 -0.888 . . . . 0.96999999999999997 109.469 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -62.85 -30.67 71.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.691 -0.855 . . . . 0.54000000000000004 108.691 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' B' ' 38' ' ' VAL . 3.4 t -70.24 -50.68 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.029 -0.987 . . . . 0.44 109.109 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -48.08 -36.42 13.08 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.004 0.521 . . . . 1.29 111.768 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 40.8 mmt180 -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.183 -0.462 . . . . 2.6600000000000001 111.398 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.69 -36.35 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.73999999999999999 111.328 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.62 -38.65 82.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.825 -0.625 . . . . 0.89000000000000001 111.821 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -79.08 -85.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.639 0.733 . . . . 1.6799999999999999 111.236 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -143.69 95.97 2.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.72 -1.127 . . . . 4.0300000000000002 108.286 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -28.82 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.965 1.416 . . . . 2.1499999999999999 113.835 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -154.87 149.72 26.68 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.382 -0.969 . . . . 1.98 108.382 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.726 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 1.7 m170 61.14 30.73 19.53 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.977 0.417 . . . . 1.3100000000000001 110.28 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.26 123.51 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.937 -0.574 . . . . 1.22 110.367 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -73.34 153.59 40.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.851 -0.613 . . . . 1.4199999999999999 109.657 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.495 ' HA ' ' HD2' ' B' ' 35' ' ' ARG . . . -50.82 -44.75 59.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.786 0.291 . . . . 1.0700000000000001 111.786 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.9 -45.59 91.81 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.057 0.456 . . . . 3.2999999999999998 111.247 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -40.14 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.043 -0.526 . . . . 0.79000000000000004 111.738 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.495 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 50.5 mtt180 -54.08 -54.44 39.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.181 0.515 . . . . 3.21 110.691 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.82 -41.17 95.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.325 -0.852 . . . . 2.0899999999999999 111.332 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.618 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 23.8 ttmm -58.2 -46.67 85.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.646 . . . . 1.6599999999999999 111.615 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' B' ' 20' ' ' VAL . 53.4 t -70.55 -46.94 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.42 -0.355 . . . . 0.42999999999999999 111.248 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.75 -42.26 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 1.79 110.906 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.14 -34.06 75.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.518 -0.31 . . . . 0.69999999999999996 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.13 73.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.46999999999999997 110.448 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 54.1 mtt -67.26 -19.49 65.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.564 . . . . 0.52000000000000002 110.44 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.58 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.62 110.787 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 76.8 mm-40 -64.1 -55.61 20.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.335 0.588 . . . . 1.55 110.722 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.3 OUTLIER -84.51 -10.25 57.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.474 -0.785 . . . . 0.98999999999999999 111.208 -179.249 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 t30 61.65 63.32 1.17 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.446 -0.946 . . . . 1.77 108.446 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.598 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -59.09 117.63 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.535 -1.212 . . . . 1.3300000000000001 112.188 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.5 mt -118.15 101.14 51.71 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 107.471 -1.307 . . . . 1.28 107.471 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.464 ' HB2' ' OE1' ' B' ' 60' ' ' GLN . 81.7 Cg_exo -44.29 134.54 8.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.801 3.001 . . . . 0.82999999999999996 114.018 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.2 m120 -60.14 99.71 0.08 Allowed 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.777 -0.647 . . . . 1.6399999999999999 109.773 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.605 ' HD3' ' H ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -51.59 -38.05 52.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.974 0.361 . . . . 4.7599999999999998 111.974 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.673 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 57.9 m -75.3 -54.18 7.51 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.727 0.64 . . . . 0.69999999999999996 112.727 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.548 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -74.44 -38.28 63.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.526 0.936 . . . . 0.54000000000000004 113.526 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 5.4 mm-40 -67.13 -52.73 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.816 0.302 . . . . 1.49 111.816 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.726 ' HA ' ' HA ' ' B' ' 59' ' ' LYS . 29.6 tt0 -59.3 -35.98 74.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.32 0.581 . . . . 2.52 110.256 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.974 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 11.7 tp -64.88 -67.35 0.44 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.155 -0.93 . . . . 0.57999999999999996 110.702 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.795 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -51.16 -48.38 61.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 1.02 113.808 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.66 37.29 0.27 Allowed Glycine 0 C--N 1.329 0.178 0 C-N-CA 119.576 -1.297 . . . . 2.1299999999999999 113.173 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 32.1 mtmm 67.53 162.34 0.18 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.225 0.61 . . . . 5.0700000000000003 111.446 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.464 ' OE1' ' HB2' ' B' ' 49' ' ' PRO . 10.0 tt0 -104.69 98.47 8.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.08 -0.509 . . . . 7.3399999999999999 109.836 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m 63.16 33.34 14.48 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.012 -0.54 . . . . 6.96 111.079 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.354 -0.831 . . . . 7.96 111.517 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.416 ' C6 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.54 0 O4'-C1'-C2' 106.999 0.817 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.484 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C4'-C3'-C2' 102.18 -1.02 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.722 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.77 0 O4'-C1'-C2' 107.299 1.09 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.722 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 N19-C1'-C2' 115.702 0.939 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.717 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.441 0.76 0 N19-C1'-C2' 116.515 1.447 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.491 H2'' ' OP2' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C2'-C3'-O3' 113.42 1.045 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.665 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.126 0.932 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.492 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.05 0.863 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.492 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.662 1.078 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.451 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.509 0 O4'-C1'-N19 108.483 0.854 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.441 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.951 0.774 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.586 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.112 0 C2'-C3'-O3' 115.77 1.915 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.795 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.378 1.972 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.769 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.44 0 O4'-C1'-N19 105.531 -2.836 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.493 ' C2 ' ' N7 ' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 P-O3'-C3' 120.915 1.012 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.493 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.056 0.869 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.419 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 C4'-C3'-C2' 102.364 -0.836 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.419 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 106.901 0.728 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C4'-C3'-C2' 102.257 -0.943 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.45 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 C4'-C3'-C2' 102.42 -0.78 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.458 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.371 -0.829 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.458 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 N19-C1'-C2' 115.633 0.895 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.438 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 N19-C1'-C2' 115.596 0.873 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.432 " O5'" ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 O4'-C1'-C2' 107.029 0.845 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 102.177 -1.023 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.549 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.148 0.952 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.726 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 N19-C1'-C2' 115.999 1.124 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.657 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 N19-C1'-C2' 116.189 1.243 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.633 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.633 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.719 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.428 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C5'-C4'-C3' 115.887 0.792 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.432 " H1'" " H5'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 O4'-C1'-C2' 106.969 0.79 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.059 0.872 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.773 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.509 -0.868 0 C4'-C3'-O3' 113.029 1.241 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.974 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 N19-C1'-C2' 116.77 1.606 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.592 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O4'-C1'-N19 109.689 2.362 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.494 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C4'-C3'-C2' 102.344 -0.856 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 102.302 -0.898 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.123 -1.077 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 106.989 0.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.515 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C4'-C3'-C2' 102.29 -0.91 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.515 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.442 ' OP2' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C1'-C2' 106.92 0.746 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 106.932 0.756 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 mmm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.874 0.369 . . . . 6.4100000000000001 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -55.52 2.34 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.943 -0.572 . . . . 4.7300000000000004 111.62 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.64 123.05 8.74 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.557 1.505 . . . . 1.3 111.925 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.104 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.1 t -70.55 144.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.726 -0.67 . . . . 0.54000000000000004 110.115 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.3 OUTLIER -106.62 165.15 11.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.165 -0.471 . . . . 0.40999999999999998 110.229 -179.271 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.912 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -64.26 -16.78 62.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.28999999999999998 111.238 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -77.58 -36.4 52.05 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.48999999999999999 109.956 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -34.89 67.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.75 110.34 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.17 -41.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.478 0.656 . . . . 0.22 109.432 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.47 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.937 -1.028 . . . . 0.29999999999999999 111.308 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -35.58 80.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.795 -0.639 . . . . 2.21 111.616 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.6 t80 -79.49 -34.42 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.53 -0.304 . . . . 1.49 111.479 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.24 -16.89 44.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.621 0.248 . . . . 0.46000000000000002 111.172 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.94 30.11 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.977 -0.849 . . . . 0.52000000000000002 110.977 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -129.29 -165.54 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.062 -0.569 . . . . 0.35999999999999999 109.813 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -110.35 152.45 26.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.878 -0.601 . . . . 1.26 109.394 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.912 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 43.9 p90 -55.13 -25.54 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.961 0.41 . . . . 1.3200000000000001 110.939 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.6 tp60 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 1.0900000000000001 109.626 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.6 m -65.82 -47.06 76.3 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.48999999999999999 109.594 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.655 ' HA ' HG11 ' A' ' 38' ' ' VAL . 98.7 t -54.91 -50.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.145 -0.934 . . . . 0.25 111.134 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.7 t -60.54 -36.44 78.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.439 -0.346 . . . . 0.87 111.516 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 88.1 mtt-85 -68.85 -27.37 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.727 0.299 . . . . 2.0299999999999998 110.586 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 19' ' ' THR . 65.2 t -83.26 -50.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.44 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' VAL . 68.9 t -58.81 -45.63 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.416 -0.811 . . . . 0.40999999999999998 112.102 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -88.6 -3.64 58.75 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.898 0.333 . . . . 1.72 111.898 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 55.92 65.54 1.42 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.3 0.572 . . . . 4.8799999999999999 109.983 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.82 -153.07 0.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.721 -0.672 . . . . 2.27 111.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 1.9 p -99.48 175.82 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 1.52 110.324 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.68 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.3 OUTLIER 62.23 39.71 12.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.825 0.45 . . . . 0.76000000000000001 111.538 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -130.14 124.97 59.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 120.805 0.336 . . . . 1.1599999999999999 111.239 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -99.52 148.65 24.04 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.487 -0.561 . . . . 1.3 109.487 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.19 -26.34 66.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 1.0600000000000001 111.972 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -61.13 -43.84 98.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.929 0.395 . . . . 3.3900000000000001 111.067 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -91.84 -28.83 17.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.65000000000000002 111.293 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -56.1 -42.99 77.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 3.3100000000000001 110.974 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 37.5 mt-10 -69.06 -41.08 78.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.419 0.526 . . . . 1.45 112.419 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 19.2 ptpt -68.61 -31.96 71.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.97999999999999998 110.809 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HA ' ' A' ' 20' ' ' VAL . 92.0 t -74.13 -42.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.25 -0.432 . . . . 0.35999999999999999 109.998 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 35.8 mt-10 -65.23 -27.83 68.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.184 0.516 . . . . 1.5900000000000001 109.898 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -81.92 -39.65 23.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.649 -0.705 . . . . 0.52000000000000002 110.441 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.75 91.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.037 0.446 . . . . 0.37 110.997 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.793 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -72.89 -6.23 43.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.39000000000000001 110.738 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.212 0.529 . . . . 0.53000000000000003 109.909 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.6 mm-40 -72.21 -61.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 1.3600000000000001 110.109 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -13.95 60.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.411 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.5 62.27 0.28 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.573 0.701 . . . . 2.0099999999999998 109.438 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.104 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.1 t80 -64.39 138.06 58.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.573 -1.194 . . . . 1.1599999999999999 111.599 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.33 104.44 53.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.1599999999999999 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.53 115.77 2.89 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.805 2.337 . . . . 0.55000000000000004 111.221 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 63.7 m-80 -83.17 98.77 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.54000000000000004 111.563 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -73.85 -15.58 61.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.654 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -77.91 -41.21 37.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.037 -0.727 . . . . 0.82999999999999996 109.037 179.347 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.07 -28.15 66.27 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.361 -0.836 . . . . 0.45000000000000001 109.282 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -37.01 80.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.222 -0.899 . . . . 1.21 110.006 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -71.06 -24.87 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 2.0099999999999998 110.149 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.6 tp -82.28 -54.95 4.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.87 -0.605 . . . . 0.51000000000000001 110.307 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.74 -37.42 87.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.729 -0.669 . . . . 0.48999999999999999 110.599 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.97 87.67 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.791 -0.64 . . . . 1.1399999999999999 111.708 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD3' " H4'" ' C' ' 11' ' ' ' DC' . 6.4 pttm 32.95 -106.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.396 1.078 . . . . 6.3499999999999996 112.989 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -81.41 126.61 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 6.5 110.576 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -139.13 25.37 2.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.556 . . . . 7.21 110.339 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.402 -0.809 . . . . 9.6300000000000008 110.461 -179.787 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.633 0.254 . . . . 7.5 110.587 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -118.59 88.25 33.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.099 0.476 . . . . 4.8700000000000001 110.59 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.71 101.18 1.01 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.418 2.078 . . . . 1.49 111.958 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 84.6 t -77.48 127.88 38.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.811 -0.631 . . . . 0.78000000000000003 109.524 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 19.0 p -91.13 173.67 7.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.947 -0.57 . . . . 0.5 110.2 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.781 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -76.2 -11.39 59.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.773 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 31.8 m-85 -75.71 -43.86 45.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.081 -1.418 . . . . 1.27 109.414 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.91 -40.35 95.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.875 -0.602 . . . . 1.3100000000000001 110.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' B' ' 45' ' ' LEU . 55.7 t -58.65 -43.31 87.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.23 -0.896 . . . . 0.28000000000000003 110.577 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.45 -46.44 76.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.37 112.226 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 5.2 mm-40 -57.86 -40.74 80.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 2.3399999999999999 111.7 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.548 ' CB ' HD21 ' B' ' 45' ' ' LEU . 57.2 t80 -71.33 -41.38 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.5800000000000001 111.06 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -70.37 -21.37 62.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.606 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.22 62.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.633 . . . . 0.58999999999999997 112.295 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.427 HG11 HG22 ' B' ' 34' ' ' THR . 27.0 m -115.43 174.22 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.5 110.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 154.27 40.47 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.775 -0.824 . . . . 0.64000000000000001 108.775 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.63 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.73 -25.96 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 1.49 110.337 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.82 -20.58 56.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.873 -0.603 . . . . 0.96999999999999997 110.508 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -64.53 -29.56 70.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.921 -0.77 . . . . 0.54000000000000004 108.921 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.402 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.8 t -69.65 -46.38 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.323 -0.992 . . . . 0.44 108.323 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.438 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 32.1 t -52.89 -34.55 55.38 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.076 0.465 . . . . 1.29 110.31 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 22' ' ' ARG . 6.1 mtp85 -64.59 -56.09 16.15 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.679 -0.692 . . . . 2.6600000000000001 110.619 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.541 HG22 HG11 ' B' ' 30' ' ' VAL . 97.4 t -58.73 -32.07 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.73999999999999999 110.816 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.83 -38.22 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.593 -0.73 . . . . 0.89000000000000001 112.034 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.476 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 10.6 m-80 -123.17 -70.55 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.879 0.696 . . . . 1.6799999999999999 112.879 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -79.96 75.59 6.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 4.0300000000000002 111.345 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.06 -24.56 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.72 -1.127 . . . . 2.1499999999999999 112.364 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m -69.03 156.78 38.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.882 -0.414 . . . . 1.98 109.882 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.752 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.2 OUTLIER 64.12 21.67 12.64 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.196 0.598 . . . . 1.3100000000000001 110.336 -177.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.541 HG11 HG22 ' B' ' 23' ' ' VAL . 41.9 t -122.21 113.67 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.672 -0.492 . . . . 1.22 109.672 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 161.56 21.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.4199999999999999 110.562 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -43.68 75.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 1.0700000000000001 110.568 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 20.4 ttpt -49.56 -55.83 12.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.606 -0.725 . . . . 3.2999999999999998 111.709 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.427 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -73.2 -37.27 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.18 0.437 . . . . 0.79000000000000004 112.18 -178.522 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -59.92 -45.56 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.567 -0.288 . . . . 3.21 111.033 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.31 -33.29 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.0899999999999999 110.801 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 65.7 mttm -62.41 -48.67 78.68 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.324 -0.398 . . . . 1.6599999999999999 110.561 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' B' ' 42' ' ' MET . 59.0 t -66.3 -48.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.656 -0.702 . . . . 0.42999999999999999 110.901 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.83 -45.21 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.895 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.634 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.63 -43.62 88.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.69999999999999996 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.75 -33.11 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.46999999999999997 111.676 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 61.4 mtt -62.57 -19.98 64.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.404 -0.362 . . . . 0.52000000000000002 111.078 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.95 -29.04 11.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.62 110.911 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 6.2 mm-40 -70.32 -43.42 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.822 0.344 . . . . 1.55 110.289 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.559 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -88.37 -18.35 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.98999999999999999 110.369 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 61.0 t30 68.21 58.66 0.44 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 107.039 -1.467 . . . . 1.77 107.039 -176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.643 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -55.13 117.34 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 113.969 -1.469 . . . . 1.3300000000000001 113.091 -177.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -124.16 92.59 48.05 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 107.6 -1.259 . . . . 1.28 107.6 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.35 129.66 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.785 2.99 . . . . 0.82999999999999996 113.545 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -54.74 99.73 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.784 -0.644 . . . . 1.6399999999999999 109.979 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -54.02 -36.24 62.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.938 0.399 . . . . 4.7599999999999998 111.153 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.7 m -76.92 -54.53 6.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.759 0.651 . . . . 0.69999999999999996 112.759 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.54 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -73.37 -33.86 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.318 0.858 . . . . 0.54000000000000004 113.318 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 8.6 mm-40 -72.41 -47.99 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.635 0.606 . . . . 1.49 112.635 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.24 -33.36 75.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.291 0.567 . . . . 2.52 109.685 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.985 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.9 tp -66.65 -61.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.136 -0.938 . . . . 0.57999999999999996 110.234 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.758 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -60.36 -25.41 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.143 -0.935 . . . . 1.02 112.868 -178.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -177.71 -87.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.862 -1.161 . . . . 2.1299999999999999 112.889 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.78 158.2 17.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.662 0.267 . . . . 5.0700000000000003 111.113 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.24 72.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.825 -0.435 . . . . 7.3399999999999999 109.825 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -78.27 95.53 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.995 -0.548 . . . . 6.96 111.344 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.51 -0.757 . . . . 7.96 109.562 178.693 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.648 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.532 0 O4'-C1'-C2' 107.116 0.924 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.403 ' C6 ' ' C6 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.794 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C4'-C3' 104.659 -0.941 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.794 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.021 0.838 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.68 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.608 1.505 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.633 H2'' ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.701 1.126 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.633 ' H71' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 107.125 0.932 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.423 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C4'-C3'-C2' 102.349 -0.851 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C4'-C3'-C2' 102.267 -0.933 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.443 H2'' ' OP2' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-N19 108.562 0.952 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.468 " H4'" ' HD3' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C5'-C4'-C3' 116.197 0.998 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.628 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.446 1.19 0 C2'-C3'-O3' 115.696 1.887 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.773 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 O4'-C1'-N19 109.88 2.6 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.781 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.415 -1.59 0 C5'-C4'-C3' 118.444 2.496 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.476 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.073 0.885 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.425 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.061 0.873 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C5'-C4'-C3' 116.128 0.952 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.06 0.873 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.449 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 102.327 -0.873 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.449 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.275 -0.925 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.438 ' H72' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.34 -0.86 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.402 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 N19-C1'-C2' 115.722 0.951 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.109 0.917 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.335 -0.865 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.536 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.049 0.862 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.752 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 N19-C1'-C2' 115.841 1.026 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.639 0 N19-C1'-C2' 115.965 1.103 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.763 H2'' ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-N19 108.506 0.882 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.763 ' H71' H2'' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C5'-C4'-C3' 116.185 0.99 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.41 ' C4 ' ' N6 ' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-C3' 116.069 0.913 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.436 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.296 -0.904 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.436 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-N19 108.592 0.99 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 O4'-C1'-C2' 107.034 0.849 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.817 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.769 0 C4'-C3'-O3' 113.062 1.255 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.985 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 N19-C1'-C2' 116.672 1.545 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.667 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 109.354 1.943 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.527 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 102.334 -0.866 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 102.311 -0.889 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.447 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.075 0.886 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.447 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.093 -1.107 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.588 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.588 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.055 0.868 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.45 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 107.021 0.838 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C5'-C4'-C3' 115.901 0.801 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptt? . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 110.145 -0.317 . . . . 6.4100000000000001 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? 70.68 119.19 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 124.066 0.854 . . . . 4.7300000000000004 110.415 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.44 122.18 11.24 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.536 2.158 . . . . 1.3 112.008 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.687 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.5 t -75.33 131.49 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.596 -0.52 . . . . 0.54000000000000004 109.596 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.539 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -105.82 170.55 7.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.033 -0.53 . . . . 0.40999999999999998 110.11 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.68 -15.55 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.28999999999999998 110.141 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -76.86 -35.16 57.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.48999999999999999 109.52 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.95 -38.11 85.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.951 -0.568 . . . . 1.75 110.217 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 t -69.5 -42.81 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.605 -0.725 . . . . 0.22 109.587 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.96 79.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.034 -0.985 . . . . 0.29999999999999999 111.092 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.1 -39.76 75.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.131 -0.486 . . . . 2.21 111.707 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -74.33 -34.98 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 1.49 111.473 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.9 -16.14 39.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.46000000000000002 111.676 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.18 38.05 30.68 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.885 -0.886 . . . . 0.52000000000000002 110.885 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -130.79 -165.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.305 -0.448 . . . . 0.35999999999999999 110.031 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.466 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 60.3 p -106.43 157.03 17.93 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.266 -0.642 . . . . 1.26 109.266 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.862 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.8 p90 -59.75 -31.11 69.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.089 0.471 . . . . 1.3200000000000001 110.024 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HB2' ' H71' ' C' ' 7' ' ' ' DT' . 57.5 tp60 -66.74 -35.45 80.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.536 -0.756 . . . . 1.0900000000000001 109.6 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.9 m -65.76 -48.64 71.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.759 -0.83 . . . . 0.48999999999999999 108.759 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.9 t -58.62 -48.99 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.23 -0.895 . . . . 0.25 110.696 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 6' ' ' LEU . 22.9 t -58.59 -39.1 79.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.87 111.368 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' NH1' ' H72' ' C' ' 5' ' ' ' DT' . 59.5 mtt180 -68.34 -24.84 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 2.0299999999999998 110.561 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.647 HG13 ' HG3' ' A' ' 35' ' ' ARG . 83.9 t -81.4 -44.75 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.213 0.53 . . . . 0.44 109.864 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.9 t -62.78 -44.48 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.269 -0.878 . . . . 0.40999999999999998 110.6 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.91 -11.16 59.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.323 -0.399 . . . . 1.72 111.293 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 62.17 63.4 1.08 Allowed 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.71 0.631 . . . . 4.8799999999999999 110.953 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 -166.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.73 -0.668 . . . . 2.27 110.834 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -92.24 -161.87 0.87 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.962 -0.563 . . . . 1.52 110.652 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.739 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.2 OUTLIER 67.99 -60.52 0.4 Allowed 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.456 0.702 . . . . 0.76000000000000001 112.608 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 22' ' ' ARG . 97.2 t -64.58 117.36 5.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.355 0.597 . . . . 1.1599999999999999 111.239 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.86 168.86 19.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.144 -0.935 . . . . 1.3 110.964 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.87 -39.28 88.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.587 0.217 . . . . 1.0600000000000001 111.587 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -52.91 -48.21 67.39 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.987 0.422 . . . . 3.3900000000000001 111.345 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -82.86 -28.07 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.65000000000000002 111.548 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.647 ' HG3' HG13 ' A' ' 23' ' ' VAL . 13.1 ttm180 -66.31 -46.3 77.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.957 0.408 . . . . 3.3100000000000001 111.307 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 59.2 mt-10 -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.78 -0.646 . . . . 1.45 112.352 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.7 ptpt -81.79 -28.53 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.158 -0.617 . . . . 0.97999999999999998 109.93 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' THR . 76.5 t -73.01 -44.55 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.35999999999999999 109.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.94 -32.52 73.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.574 -0.739 . . . . 1.5900000000000001 110.114 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.2 -35.08 42.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 0.52000000000000002 111.049 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.15 74.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.842 0.353 . . . . 0.37 110.994 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.815 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.7 ptp -71.66 -10.72 60.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.39000000000000001 110.687 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.77 -22.68 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.53000000000000003 109.666 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 80.0 mm-40 -80.79 -51.12 8.99 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.034 -0.985 . . . . 1.3600000000000001 110.606 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.54 6.95 31.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.185 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 p30 47.27 46.73 16.8 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.779 0.8 . . . . 2.0099999999999998 111.136 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.815 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 7.7 t80 -52.15 126.8 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.642 -1.163 . . . . 1.1599999999999999 112.123 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -103.52 109.65 62.33 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 110.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.07 106.45 1.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.982 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -68.74 105.79 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.54000000000000004 111.502 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 39.0 ptt180 -73.15 -22.84 60.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.521 -0.763 . . . . 5.04 110.618 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -72.09 -40.65 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.298 0.57 . . . . 0.82999999999999996 110.114 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.651 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.76 -31.06 69.83 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.457 -0.792 . . . . 0.45000000000000001 109.289 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' N ' " H4'" ' D' ' 14' ' ' ' DC' . 28.1 tt0 -67.45 -40.53 85.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.023 -0.989 . . . . 1.21 110.018 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' HB3' ' HA ' ' A' ' 61' ' ' SER . 89.4 mt-30 -62.74 -41.91 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 2.0099999999999998 109.862 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.8 tp -67.91 -52.3 37.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.491 -0.777 . . . . 0.51000000000000001 110.866 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.34 -26.31 68.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.684 . . . . 0.48999999999999999 110.784 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.26 19.38 18.43 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.921 -0.581 . . . . 1.1399999999999999 111.953 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HD3' " H4'" ' C' ' 11' ' ' ' DC' . 3.5 tppp? 72.28 106.42 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.63 0.772 . . . . 6.3499999999999996 111.713 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' HA ' H5'' ' C' ' 12' ' ' ' DG' . 6.1 tp-100 69.29 109.47 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.215 -0.902 . . . . 6.5 112.048 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 9.7 p -78.16 -18.25 55.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.666 -0.697 . . . . 7.21 111.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.424 -0.798 . . . . 9.6300000000000008 110.718 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 121.117 0.484 . . . . 7.5 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' B' ' 2' ' ' LYS . 0.1 OUTLIER -101.72 -54.21 0.14 Allowed Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 4.8700000000000001 110.726 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 24.5 Cg_exo -64.7 115.57 3.3 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.987 1.791 . . . . 1.49 111.629 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 46.3 t -92.78 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.78000000000000003 110.458 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.567 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.9 p -95.46 170.95 9.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.254 -0.43 . . . . 0.5 110.183 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.75 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.5 OUTLIER -79.61 -6.16 56.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.884 -1.154 . . . . 0.65000000000000002 107.884 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.78 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 20.8 m-85 -82.1 -40.01 22.53 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.937 -1.483 . . . . 1.27 109.956 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.55 -39.22 93.36 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.029 -0.532 . . . . 1.3100000000000001 110.335 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.452 ' HA ' HD23 ' B' ' 45' ' ' LEU . 40.0 t -59.21 -38.75 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 110.368 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -71.78 -53.52 13.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.283 -0.871 . . . . 0.37 112.531 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.09 -31.38 67.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.507 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.429 ' CB ' HD21 ' B' ' 45' ' ' LEU . 55.1 t80 -76.41 -48.73 18.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.396 -0.365 . . . . 1.5800000000000001 110.832 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -67.52 -25.11 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.64000000000000001 111.987 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.22 6.18 61.69 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.935 -0.65 . . . . 0.58999999999999997 112.374 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 36.0 m -103.05 170.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.126 -0.324 . . . . 0.5 110.126 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.86 148.32 44.55 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.14 -1.059 . . . . 0.64000000000000001 108.14 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.726 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -61.37 -23.29 65.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.205 0.526 . . . . 1.49 110.453 -178.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.484 HE21 ' HB2' ' B' ' 18' ' ' GLN . 1.6 tt0 -69.83 -28.09 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.96999999999999997 110.339 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.475 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 29.7 m -67.52 -31.51 71.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.65 -0.87 . . . . 0.54000000000000004 108.65 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.476 HG13 ' CG1' ' B' ' 38' ' ' VAL . 16.2 t -73.98 -46.02 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.44 109.407 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.737 ' HB2' ' OP2' ' C' ' 15' ' ' ' DT' . 7.8 p -58.68 -32.58 69.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.149 0.5 . . . . 1.29 110.037 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 24.5 mtm180 -74.19 -47.74 33.67 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.489 -0.778 . . . . 2.6600000000000001 110.155 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.519 HG22 HG11 ' B' ' 30' ' ' VAL . 21.8 t -57.43 -35.84 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.556 0.693 . . . . 0.73999999999999999 109.828 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.45 -33.77 46.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 111.675 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.456 ' OD1' ' HE2' ' B' ' 59' ' ' LYS . 28.3 m-80 -126.4 -72.34 0.65 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.888 0.699 . . . . 1.6799999999999999 112.888 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -78.38 82.69 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 4.0300000000000002 111.455 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.25 -11.07 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.723 -0.671 . . . . 2.1499999999999999 111.949 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.47 149.83 45.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.869 -0.419 . . . . 1.98 109.869 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.665 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.92 30.07 19.4 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.119 0.568 . . . . 1.3100000000000001 110.989 -179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.519 HG11 HG22 ' B' ' 23' ' ' VAL . 45.5 t -127.58 107.89 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.33 . . . . 1.22 110.268 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -70.76 163.53 27.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.241 -0.436 . . . . 1.4199999999999999 110.932 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 1.0700000000000001 111.535 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 39.1 mmtm -58.1 -54.07 51.16 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.403 -0.362 . . . . 3.2999999999999998 111.494 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -68.32 -35.21 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.79000000000000004 111.029 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.89 -51.47 69.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 3.21 110.173 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.866 -0.606 . . . . 2.0899999999999999 110.67 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.488 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.0 tppp? -60.34 -44.54 95.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 1.6599999999999999 110.051 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.9 t -73.22 -46.91 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.43 -0.804 . . . . 0.42999999999999999 111.06 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -36.05 78.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.327 -0.397 . . . . 1.79 111.438 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.45 -41.53 93.32 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.628 -0.508 . . . . 0.69999999999999996 109.628 178.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.46999999999999997 110.4 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.58 -23.78 64.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.034 -0.53 . . . . 0.52000000000000002 110.413 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -29.27 13.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.052 -0.522 . . . . 0.62 110.763 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 14.8 mm-40 -70.77 -52.24 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.129 0.49 . . . . 1.55 110.392 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.572 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -80.34 -19.79 45.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.866 -0.606 . . . . 0.98999999999999999 110.075 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.454 ' O ' HG12 ' B' ' 48' ' ' ILE . 14.3 t-20 69.12 57.94 0.37 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.263 -1.384 . . . . 1.77 107.263 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.761 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -52.51 121.37 6.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.794 -1.548 . . . . 1.3300000000000001 112.741 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.0 mm -122.33 96.23 46.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 114.892 -1.049 . . . . 1.28 108.622 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -35.2 123.05 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.178 3.252 . . . . 0.82999999999999996 113.929 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.567 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.6 m-20 -55.49 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.49 -0.777 . . . . 1.6399999999999999 111.191 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -58.47 -40.07 81.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.807 0.299 . . . . 4.7599999999999998 111.807 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.1 m -73.75 -58.38 3.35 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.752 0.649 . . . . 0.69999999999999996 112.752 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.596 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -67.47 -37.8 83.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.467 0.914 . . . . 0.54000000000000004 113.467 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 47.1 mt-30 -69.46 -51.21 38.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.611 -0.436 . . . . 1.49 111.432 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -55.91 -36.93 68.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.411 0.624 . . . . 2.52 109.856 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.952 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.8 tp -67.65 -58.03 5.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.81 -1.086 . . . . 0.57999999999999996 110.89 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.807 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -71.76 34.45 0.06 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.022 1.119 . . . . 1.02 114.022 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.05 31.54 61.77 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 114.392 0.517 . . . . 2.1299999999999999 114.392 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 23.5 tptp -118.25 86.41 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.707 0.765 . . . . 5.0700000000000003 110.403 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.474 ' HB2' HD23 ' B' ' 62' ' ' LEU . 1.6 pm0 -93.42 156.25 16.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.336 -0.847 . . . . 7.3399999999999999 110.386 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.5 m -94.23 57.28 2.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 6.96 110.19 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' B' ' 60' ' ' GLN . 4.0 mm? . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.316 -0.849 . . . . 7.96 110.673 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 O4'-C1'-C2' 107.033 0.848 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.034 0.849 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.784 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.902 0 O4'-C1'-C2' 107.272 1.066 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.784 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C4'-C3' 104.737 -0.863 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.739 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.05 1.156 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.471 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.52 0.9 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.405 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.248 1.044 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.442 H2'' ' OP2' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.219 -0.981 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.463 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-N19 108.618 1.023 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.463 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.22 1.018 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.566 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C4'-C3'-C2' 102.322 -0.878 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.853 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.081 0 C2'-C3'-O3' 115.138 1.681 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.807 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.109 0 O4'-C1'-N19 109.35 1.938 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.75 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.338 0 C5'-C4'-C3' 118.691 2.66 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.737 ' OP2' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 P-O3'-C3' 121.33 1.358 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.268 -0.932 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.449 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.111 0.919 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.32 -0.88 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.553 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.163 0.967 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.553 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C4'-C3'-C2' 102.357 -0.843 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.409 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.05 0.864 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 N19-C1'-C2' 115.73 0.957 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.156 0.96 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.4 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C4'-C3'-C2' 102.183 -1.017 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.549 0 O4'-C1'-C2' 107.21 1.01 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.665 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.4 1.375 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.528 ' C7 ' ' HB2' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 N19-C1'-C2' 116.289 1.306 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.693 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.242 -0.958 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.693 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 106.969 0.79 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-C3' 116.03 0.887 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.51 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C2'-C3'-O3' 113.677 1.14 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.51 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.053 0.866 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.152 0.956 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.844 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-O3' 113.34 1.382 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.952 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 N19-C1'-C2' 116.086 1.179 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.651 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C1'-N19 109.632 2.29 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.525 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.075 0 O4'-C1'-N19 108.607 1.008 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.418 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 102.239 -0.961 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.422 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.649 0 O4'-C1'-C2' 107.002 0.82 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.422 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.116 0.923 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.05 0.863 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.463 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.073 0.885 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.549 H2'' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.056 0.869 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.549 ' H71' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.01 0.827 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 N19-C1'-C2' 115.459 0.787 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.886 -0.412 . . . . 6.4100000000000001 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 31.3 tttp -71.84 124.9 91.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 4.7300000000000004 110.917 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 23.0 Cg_exo -65.13 122.96 10.87 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.693 2.262 . . . . 1.3 111.091 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 92.6 t -80.14 134.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.995 -0.548 . . . . 0.54000000000000004 110.25 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.525 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.9 OUTLIER -108.43 176.58 5.07 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.731 -0.668 . . . . 0.40999999999999998 110.678 -178.048 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.971 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -68.16 -15.22 63.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.28999999999999998 110.391 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -76.41 -35.73 58.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.228 -0.656 . . . . 0.48999999999999999 109.228 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.0 m-20 -66.12 -43.68 86.44 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.738 -0.665 . . . . 1.75 110.017 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.24 -39.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.425 -0.807 . . . . 0.22 110.0 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.37 92.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.289 -0.869 . . . . 0.29999999999999999 110.406 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.87 -25.27 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 2.21 111.118 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.488 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 5.8 t80 -79.15 -38.68 35.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 1.49 110.749 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.91 -18.78 25.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.515 -0.311 . . . . 0.46000000000000002 111.659 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 35.26 12.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.52000000000000002 111.846 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.1 -166.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.486 -0.357 . . . . 0.35999999999999999 110.695 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -100.44 156.72 17.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.26 -0.644 . . . . 1.26 109.26 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.971 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 50.2 p90 -59.79 -31.92 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.284 0.564 . . . . 1.3200000000000001 110.421 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG3' ' O4 ' ' C' ' 7' ' ' ' DT' . 0.1 OUTLIER -66.34 -38.49 87.76 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.632 -0.713 . . . . 1.0900000000000001 110.311 179.035 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.684 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.9 m -65.68 -41.17 92.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.519 -0.549 . . . . 0.48999999999999999 109.519 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.9 t -58.93 -52.61 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.806 -0.634 . . . . 0.25 110.389 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.0 t -60.49 -35.42 75.87 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.87 110.529 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.803 ' HB3' HG22 ' A' ' 30' ' ' VAL . 22.5 mtm180 -64.75 -31.69 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 2.0299999999999998 110.596 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.0 t -81.04 -43.25 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.44 110.06 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG21 ' HE2' ' A' ' 47' ' ' TYR . 59.8 t -60.15 -42.51 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.40999999999999998 110.624 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -83.64 -19.0 36.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 1.72 111.294 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 57.97 50.3 10.47 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.25 0.548 . . . . 4.8799999999999999 110.28 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -159.06 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.257 -0.883 . . . . 2.27 111.188 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -83.42 170.46 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 1.52 110.28 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.569 ' HA ' ' OP2' ' C' ' 4' ' ' ' DT' . 0.1 OUTLIER 61.33 31.33 19.31 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.194 0.598 . . . . 0.76000000000000001 111.285 -178.361 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 22' ' ' ARG . 5.0 t -120.66 103.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 1.1599999999999999 111.4 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 89.9 p -74.99 155.82 36.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.847 -0.615 . . . . 1.3 110.261 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -68.86 -27.06 65.48 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.791 -0.448 . . . . 1.0600000000000001 109.791 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -55.41 -50.58 69.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.375 -0.829 . . . . 3.3900000000000001 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.62 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -81.61 -33.35 31.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 110.723 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -52.96 -47.3 68.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 3.3100000000000001 111.444 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 36.8 mt-10 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.126 0.787 . . . . 1.45 113.126 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.62 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.2 ptpt -85.84 -28.3 24.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.439 -0.505 . . . . 0.97999999999999998 110.999 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.5 t -77.58 -42.36 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.35999999999999999 110.101 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 40.2 mt-10 -64.48 -30.09 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.257 0.551 . . . . 1.5900000000000001 109.661 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.19 -41.23 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 0.52000000000000002 110.679 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.87 -44.39 81.07 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.37 111.364 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.0 ptp -66.49 -13.68 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.39000000000000001 111.779 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.66 -12.03 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.273 0.559 . . . . 0.53000000000000003 110.204 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 81.7 mm-40 -86.63 -61.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.485 -0.78 . . . . 1.3600000000000001 111.392 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.623 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -78.88 -1.84 37.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.765 -0.652 . . . . 1.8799999999999999 112.644 -179.108 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 67.42 65.63 0.4 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.319 0.58 . . . . 2.0099999999999998 110.747 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.6 t80 -70.35 134.39 47.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.681 -0.69 . . . . 1.1599999999999999 111.14 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -109.47 105.58 57.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.772 -0.649 . . . . 1.1599999999999999 110.445 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.13 104.24 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.434 2.089 . . . . 0.55000000000000004 110.322 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -72.36 101.86 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.101 -0.5 . . . . 0.54000000000000004 111.376 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.24 -18.07 60.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.815 -0.63 . . . . 5.04 110.401 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.3 OUTLIER -74.45 -40.93 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.254 -0.647 . . . . 0.82999999999999996 109.254 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.65 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.01 -30.2 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.45000000000000001 109.193 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -69.32 -31.82 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.189 -0.914 . . . . 1.21 109.495 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HA ' ' HB2' ' A' ' 59' ' ' LYS . 47.9 mt-30 -77.07 -8.26 57.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 2.0099999999999998 109.938 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.739 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.7 tp -102.85 -42.93 5.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.51000000000000001 110.813 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -84.86 -45.05 12.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.595 . . . . 0.48999999999999999 112.122 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.01 -8.51 59.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.819 -0.705 . . . . 1.1399999999999999 113.315 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 55' ' ' GLN . 32.7 mmtp -130.42 168.79 16.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.332 -0.247 . . . . 6.3499999999999996 110.332 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.471 HE22 ' HB3' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 72.69 127.55 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.99 0.806 . . . . 6.5 111.772 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.82 40.83 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.484 -0.78 . . . . 7.21 109.559 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HB3' HE22 ' A' ' 60' ' ' GLN . 50.1 tp . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.36 -0.828 . . . . 9.6300000000000008 110.753 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttt . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.91 0.386 . . . . 7.5 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -128.37 102.19 21.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 4.8700000000000001 110.778 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.36 92.45 1.01 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.898 2.399 . . . . 1.49 112.001 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.66 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.1 t -72.08 135.19 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.78000000000000003 110.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.501 HG22 HD21 ' B' ' 50' ' ' ASN . 18.7 p -96.65 172.67 7.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.697 -0.683 . . . . 0.5 110.646 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -79.87 -8.32 59.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.64 -1.244 . . . . 0.65000000000000002 107.64 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.786 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 24.4 m-85 -79.34 -39.04 33.7 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.612 -1.631 . . . . 1.27 109.735 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.25 -40.15 93.62 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.416 -0.811 . . . . 1.3100000000000001 110.354 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.41 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.4 t -60.7 -38.34 78.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.615 -0.721 . . . . 0.28000000000000003 110.504 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.31 -45.63 75.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.493 -0.776 . . . . 0.37 111.659 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.15 -43.91 95.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.744 -0.662 . . . . 2.3399999999999999 111.421 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.53 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.7 t80 -65.68 -41.89 91.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 1.5800000000000001 111.616 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.51 -19.21 59.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.64000000000000001 111.812 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.27 21.46 54.67 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.025 -0.607 . . . . 0.58999999999999997 112.896 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.48 179.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 110.261 -0.274 . . . . 0.5 110.261 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -78.97 158.21 28.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.444 -0.947 . . . . 0.64000000000000001 108.444 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.646 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -65.12 -20.04 66.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.088 0.47 . . . . 1.49 110.798 -179.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 10.6 mt-30 -81.81 -20.68 38.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.96999999999999997 110.514 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 23' ' ' VAL . 7.9 m -64.16 -33.9 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.788 -1.189 . . . . 0.54000000000000004 107.788 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.436 HG13 ' CG1' ' B' ' 38' ' ' VAL . 39.8 t -76.99 -39.97 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 114.181 -1.372 . . . . 0.44 108.65 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 6.7 t -55.89 -40.06 72.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.47 -0.786 . . . . 1.29 110.619 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 37.9 mmt180 -65.45 -41.72 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.574 . . . . 2.6600000000000001 110.665 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.699 HG22 HG11 ' B' ' 30' ' ' VAL . 46.1 t -70.55 -39.21 75.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.008 -0.542 . . . . 0.73999999999999999 110.407 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.416 HG21 HD12 ' B' ' 6' ' ' LEU . 9.8 t -65.66 -39.96 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.697 -0.683 . . . . 0.89000000000000001 110.807 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -67.62 -68.53 0.38 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.912 0.386 . . . . 1.6799999999999999 110.059 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -144.38 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 4.0300000000000002 110.182 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.01 22.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 2.1499999999999999 110.623 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.415 ' O ' HG23 ' B' ' 30' ' ' VAL . 2.5 p -84.37 138.62 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 1.98 110.757 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.592 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 59.97 32.72 21.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.917 0.487 . . . . 1.3100000000000001 110.558 -179.058 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.699 HG11 HG22 ' B' ' 23' ' ' VAL . 6.4 t -127.75 124.68 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.661 -0.496 . . . . 1.22 109.661 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.81 164.44 21.65 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.883 -0.414 . . . . 1.4199999999999999 109.883 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.65 92.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.399 . . . . 1.0700000000000001 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -60.78 -45.41 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.689 -0.687 . . . . 3.2999999999999998 111.672 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -43.41 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.086 0.402 . . . . 0.79000000000000004 112.086 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.68 -38.64 82.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.842 0.353 . . . . 3.21 110.703 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.16 -41.75 63.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 2.0899999999999999 110.602 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.4 ttpt -65.5 -44.48 86.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 1.6599999999999999 111.65 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.436 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.5 t -64.74 -51.61 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.376 . . . . 0.42999999999999999 111.774 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.37 -32.84 73.7 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.199 -0.2 . . . . 1.79 111.395 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.35 -36.17 66.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.69999999999999996 110.427 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.94 -29.07 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.46999999999999997 110.643 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.62 -21.75 63.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.718 -0.674 . . . . 0.52000000000000002 111.157 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.43 18.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.62 110.961 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.82 -49.03 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 1.55 110.902 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 1.1 mm? -83.36 -14.55 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.98999999999999999 110.322 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 48' ' ' ILE . 55.2 t30 68.06 55.57 0.55 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.308 -1.367 . . . . 1.77 107.308 -176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.66 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -57.01 116.89 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.015 -1.448 . . . . 1.3300000000000001 112.655 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 46' ' ' ASN . 66.1 mt -126.27 94.08 41.86 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 114.402 -1.272 . . . . 1.28 107.84 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -32.03 127.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 124.697 3.598 . . . . 0.82999999999999996 114.973 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -52.56 99.55 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.086 0.866 . . . . 1.6399999999999999 110.095 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.88 -28.99 69.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.939 0.399 . . . . 4.7599999999999998 111.252 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.9 m -83.04 -58.42 2.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.086 0.402 . . . . 0.69999999999999996 112.086 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.524 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -69.98 -37.05 75.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 0.54000000000000004 113.645 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.636 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 69.4 mt-30 -74.51 -40.9 61.48 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.35 0.523 . . . . 1.49 112.275 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.02 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.166 -0.679 . . . . 2.52 109.166 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.921 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.1 tp -69.83 -68.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.893 -1.048 . . . . 0.57999999999999996 110.135 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.893 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -54.22 -37.14 64.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 1.02 113.741 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.38 82.54 1.14 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.706 -0.759 . . . . 2.1299999999999999 111.365 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -57.11 114.5 2.17 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.822 0.449 . . . . 5.0700000000000003 111.662 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.403 ' HA ' ' OP1' ' C' ' 15' ' ' ' DT' . 32.7 mt-30 54.83 -112.98 0.75 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.459 -0.791 . . . . 7.3399999999999999 110.864 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -126.71 34.38 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.498 -0.556 . . . . 6.96 109.498 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.972 -1.013 . . . . 7.96 110.863 -179.403 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O4'-C1'-C2' 107.173 0.975 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.515 ' C6 ' ' C6 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 107.101 0.91 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.73 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.126 0.933 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.73 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 O4'-C1'-N19 108.669 1.086 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.507 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C2'-C3'-O3' 113.557 1.095 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.612 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.612 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.046 0.86 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.70999999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.446 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.296 -0.904 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.477 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C4'-C3'-C2' 102.378 -0.822 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.739 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.061 0 C2'-C3'-O3' 115.361 1.763 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.893 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 109.709 2.386 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.73 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.418 -1.345 0 C5'-C4'-C3' 117.75 2.033 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.425 ' H72' " C2'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 106.996 0.815 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.474 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.406 -0.794 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.474 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.365 -0.835 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.444 -0.756 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.41 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.501 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.501 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C4'-C3'-C2' 102.378 -0.822 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H72' " H2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 102.381 -0.819 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.453 ' H71' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 N19-C1'-C2' 115.512 0.82 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 102.401 -0.799 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.609 0 C4'-C3'-C2' 102.293 -0.907 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.564 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C1'-C2' 107.078 0.889 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.592 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 N19-C1'-C2' 116.421 1.388 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.455 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 116.232 1.27 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.671 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.553 0.941 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.671 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C5'-C4'-C3' 116.332 1.088 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.064 0.876 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.472 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C4'-C3'-C2' 102.14 -1.06 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.472 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-N19 108.43 0.788 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.422 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.225 -0.975 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.806 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.656 0 C4'-C3'-O3' 113.019 1.236 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.921 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 N19-C1'-C2' 116.94 1.713 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.65 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.746 2.432 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.475 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C4'-C3'-C2' 102.35 -0.85 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.481 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.07 0.882 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.067 0.879 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.557 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C4'-C3'-C2' 102.197 -1.003 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.628 " C2'" ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.043 0.858 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.628 ' H71' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 N19-C1'-C2' 115.602 0.877 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 N19-C1'-C2' 115.445 0.778 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.837 0.351 . . . . 6.4100000000000001 110.157 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -139.99 77.63 25.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.421 . . . . 4.7300000000000004 111.057 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -85.33 88.79 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.912 2.408 . . . . 1.3 111.7 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.604 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 41.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.42 19.77 49.55 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 24.9 tptp -93.9 7.6 44.37 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.145 0.498 . . . . 6.3499999999999996 110.326 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 34.6 tt0 -50.27 124.36 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.565 -0.743 . . . . 6.5 110.752 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -79.04 65.06 4.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.293 0.568 . . . . 7.21 110.998 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.388 -0.824 . . . . 9.6300000000000008 109.889 179.757 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.41 0.148 . . . . 7.5 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 63.7 tttp -58.17 -54.43 55.78 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.761 0.282 . . . . 4.8700000000000001 111.761 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 60.6 Cg_endo -76.26 90.92 1.15 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.803 1.669 . . . . 1.49 112.117 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t -82.53 133.71 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.78000000000000003 109.781 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.473 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.744 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.483 ' CB ' ' H73' ' C' ' 15' ' ' ' DT' . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.993 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.532 ' HB3' ' NE2' ' B' ' 60' ' ' GLN . 11.3 p30 -146.95 -34.47 0.27 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.993 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 9.8 mm100 -82.57 73.95 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.046 -0.408 . . . . 4.0300000000000002 111.128 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 28' ' ' SER . . . -54.18 164.21 0.69 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.134 -0.939 . . . . 2.1499999999999999 111.686 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.694 ' O ' HG23 ' B' ' 30' ' ' VAL . 74.6 m 71.93 179.66 0.23 Allowed 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.826 -0.805 . . . . 1.98 108.826 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.691 ' HB3' ' C7 ' ' D' ' 4' ' ' ' DT' . 2.0 p-80 37.92 36.35 0.1 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.556 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.997 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -56.41 -14.52 3.05 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.57 -63.69 0.27 Allowed Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.848 -0.691 . . . . 2.1299999999999999 112.573 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 10.2 ttpp 64.3 92.66 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.183 0.516 . . . . 5.0700000000000003 110.092 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' B' ' 25' ' ' ASN . 4.4 pp0? -49.58 146.13 4.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.252 -0.886 . . . . 7.3399999999999999 111.913 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -128.23 31.98 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.851 -0.613 . . . . 6.96 110.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.307 -0.854 . . . . 7.96 110.65 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.437 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.247 -0.953 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.766 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.881 0 O4'-C1'-C2' 107.335 1.123 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.766 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.156 0.96 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.673 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.443 0.91 0 C2'-C3'-O3' 115.043 1.646 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.556 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O3'-C3' 120.832 0.943 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.556 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.457 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.457 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.052 -1.148 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.48 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.492 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C5'-C4'-O4' 108.044 -0.848 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.653 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.912 0 C2'-C3'-O3' 115.391 1.774 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.764 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.615 2.269 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.744 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.541 1.407 0 C5'-C4'-C3' 118.033 2.222 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.483 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 116.802 1.402 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.518 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C2'-C3'-O3' 113.908 1.225 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.518 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.062 0.874 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.991 0.81 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.564 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.564 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 102.385 -0.815 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.969 0.79 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C4'-C3'-C2' 102.27 -0.93 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.44 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C1'-C2' 107.217 1.015 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.691 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 116.704 1.565 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.486 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 N19-C1'-C2' 116.005 1.128 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.806 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.237 1.034 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.806 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C5'-C4'-C3' 116.343 1.095 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C5'-C4'-C3' 116.05 0.9 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.75 1.188 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.747 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-O3' 113.162 1.301 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.997 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 116.778 1.611 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-N19 109.777 2.472 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.506 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C4'-C3'-C2' 102.195 -1.005 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.438 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.245 -0.955 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.492 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.978 0.798 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.454 ' C4 ' ' N7 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.104 0.913 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.569 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.569 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.114 0.922 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.494 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.529 0.912 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . 0.434 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 106.965 0.787 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.745 0.307 . . . . 6.4100000000000001 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.66 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 18.7 tppt? -173.54 -56.53 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.0 -0.546 . . . . 4.7300000000000004 110.967 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 71.9 Cg_endo -83.19 125.6 4.07 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 121.724 1.616 . . . . 1.3 112.053 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 21.4 t -74.95 134.64 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.983 -0.747 . . . . 0.54000000000000004 108.983 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.69 170.37 7.92 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.389 -0.369 . . . . 0.40999999999999998 110.651 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.66 -15.98 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.28999999999999998 110.201 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 68.0 m-85 -75.6 -41.15 55.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.066 -0.716 . . . . 0.48999999999999999 109.066 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.13 -39.36 89.74 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.033 -0.53 . . . . 1.75 109.978 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.47 -43.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.362 -0.836 . . . . 0.22 110.054 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.7 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.235 -0.893 . . . . 0.29999999999999999 110.932 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 49.0 mt-10 -70.73 -35.39 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.138 -0.483 . . . . 2.21 111.268 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -78.99 -36.98 40.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 1.49 111.608 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.35 -12.17 52.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.46000000000000002 111.036 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.11 39.3 53.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.068 -0.813 . . . . 0.52000000000000002 111.068 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 13' ' ' ALA . 22.1 m -128.64 -173.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.687 0.279 . . . . 0.35999999999999999 110.273 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -94.08 151.21 19.67 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.254 -0.647 . . . . 1.26 109.254 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.827 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 52.2 p90 -57.61 -31.87 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 1.3200000000000001 110.664 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' CD ' ' H41' ' D' ' 16' ' ' ' DC' . 1.0 OUTLIER -66.5 -33.93 76.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 1.0900000000000001 110.593 178.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 75.9 m -66.53 -41.39 88.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.152 -0.684 . . . . 0.48999999999999999 109.152 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 95.8 t -61.04 -49.39 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.525 -0.761 . . . . 0.25 110.331 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -59.26 -35.45 73.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.992 -0.549 . . . . 0.87 110.82 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.598 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 55.3 mtt180 -65.03 -28.11 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 2.0299999999999998 110.86 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' A' ' 30' ' ' VAL . 58.6 t -85.58 -47.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.107 0.479 . . . . 0.44 110.689 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.611 HG21 ' HE2' ' A' ' 47' ' ' TYR . 54.0 t -57.19 -49.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.264 -0.88 . . . . 0.40999999999999998 112.815 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -104.04 3.73 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.638 0.607 . . . . 1.72 112.638 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 57.96 57.72 3.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.406 0.622 . . . . 4.8799999999999999 110.429 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -89.14 20.14 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 2.27 111.562 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m 64.66 -171.52 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.943 -0.571 . . . . 1.52 110.775 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.787 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 2.3 m170 61.21 30.98 19.55 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.106 0.41 . . . . 0.76000000000000001 112.106 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -131.04 122.38 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.228 0.537 . . . . 1.1599999999999999 111.056 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 p -84.27 166.45 17.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.426 -0.806 . . . . 1.3 110.118 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.79 -51.25 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.872 0.693 . . . . 1.0600000000000001 112.872 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -53.41 -49.54 67.08 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.063 0.394 . . . . 3.3900000000000001 112.063 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.98 -40.74 75.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.161 -0.472 . . . . 0.65000000000000002 111.931 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 35' ' ' ARG . 29.3 ttp-105 -59.97 -43.9 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 3.3100000000000001 110.994 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.0 -40.1 72.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 1.45 112.288 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.9 ptpt -69.43 -31.16 69.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.818 0.342 . . . . 0.97999999999999998 111.143 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 74.4 t -76.25 -40.5 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.334 -0.394 . . . . 0.35999999999999999 110.082 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.06 -29.2 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.809 -0.632 . . . . 1.5900000000000001 110.009 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.86 -40.61 47.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 110.373 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.38 86.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.049 -0.523 . . . . 0.37 111.412 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.7 ptp -70.77 -10.59 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.443 -0.344 . . . . 0.39000000000000001 111.206 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.73 17.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.198 0.523 . . . . 0.53000000000000003 110.099 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -71.55 -50.21 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.778 0.799 . . . . 1.3600000000000001 110.612 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -7.15 58.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.418 -1.264 . . . . 1.8799999999999999 111.18 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 59.87 62.25 1.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.027 0.917 . . . . 2.0099999999999998 109.635 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.769 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.534 -1.212 . . . . 1.1599999999999999 111.267 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.68 112.44 53.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.451 -0.795 . . . . 1.1599999999999999 110.276 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.88 139.61 88.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.394 2.063 . . . . 0.55000000000000004 112.062 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.405 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 64.3 m-80 -99.67 110.11 22.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.196 0.522 . . . . 0.54000000000000004 110.765 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -77.71 -23.71 49.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 5.04 111.187 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -36.05 62.52 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.42 -0.585 . . . . 0.82999999999999996 109.42 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.612 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.37 -33.1 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.432 -0.804 . . . . 0.45000000000000001 109.048 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.83 -38.64 86.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.108 -0.951 . . . . 1.21 109.66 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.74 HE22 ' HA ' ' A' ' 61' ' ' SER . 15.1 mm100 -65.83 -32.23 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 2.0099999999999998 110.243 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.6 tp -78.21 -50.13 12.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.655 -0.702 . . . . 0.51000000000000001 110.616 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.486 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.6 -40.93 96.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.534 -0.757 . . . . 0.48999999999999999 111.818 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.31 -14.41 71.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.99 -0.624 . . . . 1.1399999999999999 112.073 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.552 ' HG3' ' OP1' ' C' ' 12' ' ' ' DG' . 42.8 tttm 69.7 -52.9 0.62 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.762 0.825 . . . . 6.3499999999999996 112.219 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -88.34 162.27 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.27 -0.423 . . . . 6.5 110.163 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.74 ' HA ' HE22 ' A' ' 55' ' ' GLN . 73.4 m -78.73 125.92 30.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.933 0.397 . . . . 7.21 111.207 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.767 -0.635 . . . . 9.6300000000000008 110.086 179.416 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttm . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.672 0.272 . . . . 7.5 110.43 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 25.1 mmtt -85.53 123.68 72.43 Favored Pre-proline 0 N--CA 1.451 -0.408 0 CA-C-O 120.74 0.305 . . . . 4.8700000000000001 110.236 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 6.0 Cg_exo -78.86 96.18 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.801 2.334 . . . . 1.49 111.436 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 29.8 t -70.03 124.34 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.201 -0.666 . . . . 0.78000000000000003 109.201 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 9' ' ' VAL . 26.8 p -90.61 173.27 8.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.855 -0.611 . . . . 0.5 110.515 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.756 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -12.47 59.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.496 -1.298 . . . . 0.65000000000000002 107.496 178.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.744 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 19.3 m-85 -77.13 -47.04 21.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.872 -1.513 . . . . 1.27 108.724 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -60.61 -35.78 76.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.61 -0.723 . . . . 1.3100000000000001 110.31 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 5' ' ' THR . 94.5 t -63.98 -40.9 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.346 0.593 . . . . 0.28000000000000003 110.091 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.569 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.36 -46.81 69.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.463 -0.79 . . . . 0.37 111.621 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.617 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.1 mt-10 -61.98 -35.87 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 2.3399999999999999 111.053 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.492 ' CD1' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -67.69 -40.14 84.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 1.5800000000000001 110.874 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.517 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -81.14 -10.52 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.64000000000000001 111.825 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.38 56.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.077 -0.582 . . . . 0.58999999999999997 112.463 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.99 168.04 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.062 -0.347 . . . . 0.5 110.062 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.3 p -68.3 147.74 51.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.423 -0.954 . . . . 0.64000000000000001 108.423 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -59.84 -25.97 65.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 1.49 110.581 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.534 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 26.7 mt-30 -73.29 -20.33 60.84 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.415 -0.357 . . . . 0.96999999999999997 110.704 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.525 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 50.6 m -65.65 -36.66 84.31 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.135 -1.061 . . . . 0.54000000000000004 108.135 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.17 -44.9 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.946 -1.025 . . . . 0.44 108.708 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -55.37 -35.68 65.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.013 -0.54 . . . . 1.29 110.889 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.764 ' HD2' ' HB2' ' B' ' 29' ' ' HIS . 47.3 mtm-85 -68.64 -41.11 79.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 2.6600000000000001 110.508 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.003 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 48.4 t -72.69 -39.89 60.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.271 0.558 . . . . 0.73999999999999999 110.181 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.02 -34.16 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 0.89000000000000001 111.059 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -75.47 -80.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 1.6799999999999999 111.049 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -128.22 10.9 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.04 0.385 . . . . 4.0300000000000002 112.04 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.003 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . 54.91 43.08 30.51 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.148 0.796 . . . . 2.1499999999999999 113.148 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.5 t -112.75 169.82 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.929 -0.397 . . . . 1.98 109.929 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.778 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 0.0 OUTLIER 62.16 35.39 15.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.886 0.474 . . . . 1.3100000000000001 110.182 -178.665 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.456 HG12 ' HB ' ' B' ' 34' ' ' THR . 0.0 OUTLIER -136.66 130.79 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 1.22 109.833 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 37.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.679 0.992 . . . . 1.4199999999999999 113.679 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.11 -57.64 0.47 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.87 0.868 . . . . 1.0700000000000001 112.033 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -56.94 -38.55 73.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 3.2999999999999998 110.148 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.467 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -62.14 -44.76 95.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.79000000000000004 110.501 179.31 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -59.87 -50.7 72.76 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.192 0.52 . . . . 3.21 110.31 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.11 -41.07 87.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.124 -0.944 . . . . 2.0899999999999999 111.608 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.517 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.4 ttpt -70.24 -40.09 74.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.738 0.304 . . . . 1.6599999999999999 110.813 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 34' ' ' THR . 55.7 t -66.93 -47.93 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.42999999999999999 110.185 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.24 -32.42 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 1.79 110.347 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.38 -41.55 80.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.681 -0.489 . . . . 0.69999999999999996 109.681 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.61 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.46999999999999997 110.601 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.81 -22.76 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.539 -0.755 . . . . 0.52000000000000002 110.708 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.68 -28.14 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.358 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 78.5 mm-40 -68.41 -52.24 35.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.353 0.597 . . . . 1.55 110.708 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -90.24 -6.02 55.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.98999999999999999 111.714 -178.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 61.37 67.16 0.8 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.407 -0.961 . . . . 1.77 108.407 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.9 t80 -58.16 110.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.516 -1.22 . . . . 1.3300000000000001 112.524 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -109.64 95.95 21.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.965 -1.124 . . . . 1.28 107.965 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -35.41 130.06 0.28 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.165 3.243 . . . . 0.82999999999999996 114.116 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.684 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.1 m120 -44.98 108.83 0.13 Allowed 'General case' 0 C--O 1.222 -0.351 0 O-C-N 124.21 0.943 . . . . 1.6399999999999999 110.443 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -72.0 -38.93 69.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.689 0.28 . . . . 4.7599999999999998 111.225 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 20.7 m -83.45 -53.66 5.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.69999999999999996 112.046 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.562 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -67.65 -41.27 84.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.707 1.003 . . . . 0.54000000000000004 113.707 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.684 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 68.8 mt-30 -73.44 -31.9 64.08 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.373 -0.531 . . . . 1.49 111.43 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.44 -28.83 64.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.714 0.769 . . . . 2.52 109.176 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 1.011 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -75.05 -67.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.472 -1.24 . . . . 0.57999999999999996 110.193 178.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.78 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -52.89 -44.2 66.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.041 -0.981 . . . . 1.02 112.505 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.09 92.13 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.418 -0.896 . . . . 2.1299999999999999 112.548 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.435 ' HG2' " O3'" ' C' ' 14' ' ' ' DA' . 9.7 mtpm? -66.32 -57.99 6.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.236 0.541 . . . . 5.0700000000000003 111.642 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -132.08 11.51 4.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.657 -0.702 . . . . 7.3399999999999999 111.81 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -35.92 41.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 6.96 110.264 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.696 -0.669 . . . . 7.96 110.246 179.734 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 107.165 0.968 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C4'-C3'-C2' 102.143 -1.057 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.7 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-O3' 107.92 -1.082 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.7 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 O4'-C1'-C2' 107.125 0.932 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.787 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 N19-C1'-C2' 116.719 1.575 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.543 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.543 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.425 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C4'-C3'-C2' 102.178 -1.022 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.427 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.026 0.841 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.427 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 O4'-C1'-C2' 107.186 0.987 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.446 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.405 -0.795 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.689 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.444 1.023 0 C2'-C3'-O3' 115.279 1.733 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.78 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 109.681 2.352 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.756 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.509 0 C5'-C4'-C3' 117.858 2.105 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-C2' 106.963 0.785 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.163 0.966 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.461 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.366 -0.834 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.065 0.878 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C4'-C3'-C2' 102.229 -0.971 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.464 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C4'-C3'-C2' 102.337 -0.863 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.538 " C2'" ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 102.254 -0.946 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.538 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.366 -0.834 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 N19-C1'-C2' 115.781 0.988 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.412 ' C8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.157 0.961 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.213 -0.987 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.596 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.817 0 C4'-C3'-O3' 108.173 -0.967 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.635 ' H73' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 N19-C1'-C2' 115.739 0.962 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.778 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 N19-C1'-C2' 116.575 1.484 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.584 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 107.127 0.933 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.584 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 102.366 -0.834 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.083 0.894 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.451 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C5'-C4'-C3' 115.971 0.847 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.451 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 106.929 0.754 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.411 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.118 0.925 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.764 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.845 0 C4'-C3'-O3' 113.344 1.384 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 1.011 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 N19-C1'-C2' 116.828 1.643 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.612 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 109.741 2.426 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.486 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 N19-C1'-C2' 115.598 0.874 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.463 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C4'-C3'-C2' 102.241 -0.959 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.407 H2'' ' OP2' ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.227 -0.973 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.407 ' OP2' H2'' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.206 1.006 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.462 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.461 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.356 -0.844 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 106.972 0.793 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C4'-C3'-C2' 102.38 -0.82 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.873 0.368 . . . . 6.4100000000000001 110.592 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 3.7 pttm -90.64 146.12 33.58 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 116.275 -0.42 . . . . 4.7300000000000004 110.544 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 15.9 Cg_exo -68.55 107.57 1.65 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.969 2.446 . . . . 1.3 111.592 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 34.1 t -74.74 142.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.54000000000000004 110.091 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.543 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -108.26 168.08 9.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.413 -0.358 . . . . 0.40999999999999998 110.494 -179.01 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -65.32 -18.62 65.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 0.28999999999999998 110.672 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -76.51 -34.1 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.508 -0.553 . . . . 0.48999999999999999 109.508 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -36.25 73.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.76 -0.655 . . . . 1.75 109.642 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.58 -44.67 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.3 -0.864 . . . . 0.22 110.119 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.25 97.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.533 -0.758 . . . . 0.29999999999999999 111.123 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -66.71 -30.79 71.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 2.21 111.535 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -81.14 -33.02 33.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 1.49 111.108 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.41 -19.35 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.46000000000000002 110.956 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.6 25.63 35.06 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.909 -0.876 . . . . 0.52000000000000002 110.909 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.8 m -121.65 -167.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.995 -0.372 . . . . 0.35999999999999999 109.995 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 m -110.01 155.24 22.07 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.356 -0.609 . . . . 1.26 109.356 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.707 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 46.0 p90 -55.17 -31.04 61.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.361 . . . . 1.3200000000000001 111.144 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.548 HE21 ' CZ ' ' A' ' 22' ' ' ARG . 52.7 tp60 -64.1 -33.98 77.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0900000000000001 109.794 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 60.9 m -75.67 -37.17 59.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.48999999999999999 109.837 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' HA ' HG11 ' A' ' 38' ' ' VAL . 80.4 t -60.83 -55.17 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.849 -0.614 . . . . 0.25 110.525 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -63.46 -28.74 70.17 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.849 0.357 . . . . 0.87 110.478 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.79 ' HG3' HG22 ' A' ' 30' ' ' VAL . 19.1 tpp180 -61.46 -33.73 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.275 -0.639 . . . . 2.0299999999999998 109.275 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.68 HG13 ' HG3' ' A' ' 35' ' ' ARG . 85.2 t -86.4 -46.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.172 -0.922 . . . . 0.44 110.452 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' VAL . 73.6 t -56.95 -42.38 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 115.886 -0.597 . . . . 0.40999999999999998 111.664 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.51 -15.84 55.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 1.72 111.1 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 57.76 66.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.211 0.529 . . . . 4.8799999999999999 110.559 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.67 -152.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 2.27 110.873 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.14 -177.51 4.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.603 -0.517 . . . . 1.52 109.603 179.081 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CG ' ' H73' ' C' ' 4' ' ' ' DT' . 0.2 OUTLIER 61.71 33.12 18.15 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.157 0.429 . . . . 0.76000000000000001 112.157 -179.606 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -122.03 120.93 62.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.466 -0.494 . . . . 1.1599999999999999 111.843 -179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 94.5 p -93.91 149.55 21.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.633 -0.712 . . . . 1.3 109.676 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.84 -44.51 82.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.106 0.254 . . . . 1.0600000000000001 111.549 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -50.65 -49.8 56.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 3.3900000000000001 112.414 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -79.49 -34.2 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.647 -0.421 . . . . 0.65000000000000002 111.749 -179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.68 ' HG3' HG13 ' A' ' 23' ' ' VAL . 44.3 ttp180 -61.79 -36.68 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 3.3100000000000001 110.454 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 43.7 mt-10 -73.35 -25.9 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.494 0.553 . . . . 1.45 112.494 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.7 ptpt -91.57 -28.17 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.604 -0.438 . . . . 0.97999999999999998 111.31 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 20' ' ' VAL . 78.6 t -72.16 -43.73 65.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.532 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 22.8 mt-10 -69.03 -23.35 64.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.179 0.514 . . . . 1.5900000000000001 110.258 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.81 -41.61 29.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.594 -0.73 . . . . 0.52000000000000002 110.274 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.73 -40.66 88.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 0.37 111.418 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.713 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -71.69 -10.32 59.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.39000000000000001 111.156 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.34 -21.19 19.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.53000000000000003 110.122 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 18.1 mm-40 -81.35 -51.07 8.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.913 0.863 . . . . 1.3600000000000001 110.965 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -82.57 -8.51 59.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.41 -1.268 . . . . 1.8799999999999999 111.621 -178.596 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.97 61.93 0.91 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.678 0.751 . . . . 2.0099999999999998 109.247 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 17.9 t80 -76.33 130.67 38.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 111.732 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -117.33 107.25 45.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 1.1599999999999999 109.751 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.16 121.66 9.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.55000000000000004 112.251 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.507 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 50.5 m-80 -74.27 113.75 11.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.196 -0.456 . . . . 0.54000000000000004 111.138 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 16.7 mmt180 -77.53 -27.93 51.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 5.04 111.615 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.34 -39.77 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.389 0.614 . . . . 0.82999999999999996 109.569 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -67.75 -33.73 75.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.358 -0.837 . . . . 0.45000000000000001 109.499 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.44 -36.49 74.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.466 -0.788 . . . . 1.21 109.444 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 1.074 ' HA ' ' HB2' ' A' ' 59' ' ' LYS . 53.9 mt-30 -79.04 5.44 11.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.4 -0.818 . . . . 2.0099999999999998 110.693 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 19.2 tp -116.55 -48.43 2.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.401 -0.818 . . . . 0.51000000000000001 109.626 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -65.79 -51.02 62.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.07 -0.968 . . . . 0.48999999999999999 112.373 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA3' " H4'" ' D' ' 15' ' ' ' DT' . . . -113.67 -35.59 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.337 -0.935 . . . . 1.1399999999999999 112.98 -179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 1.074 ' HB2' ' HA ' ' A' ' 55' ' ' GLN . 65.0 mttm -95.14 -170.33 2.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.754 0.312 . . . . 6.3499999999999996 110.476 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.483 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 3.9 mm-40 -141.26 131.69 25.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 6.5 110.56 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -90.47 67.46 6.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.64 -0.709 . . . . 7.21 110.162 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD23 ' HD2' ' B' ' 3' ' ' PRO . 13.3 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.607 -0.724 . . . . 9.6300000000000008 111.005 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.785 -0.45 . . . . 7.5 109.785 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? 60.3 83.58 0.21 Allowed Pre-proline 0 N--CA 1.465 0.298 0 O-C-N 123.717 0.636 . . . . 4.8700000000000001 110.826 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.489 ' HD2' HD23 ' A' ' 62' ' ' LEU . 53.1 Cg_endo -71.41 97.67 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.342 2.028 . . . . 1.49 111.792 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.645 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 92.1 t -72.29 134.46 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.661 -0.699 . . . . 0.78000000000000003 110.337 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.573 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 29.9 p -99.45 177.73 5.09 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.545 -0.752 . . . . 0.5 110.499 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.721 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -78.12 -11.6 59.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.847 -1.168 . . . . 0.65000000000000002 107.847 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.824 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 26.1 m-85 -75.16 -40.63 59.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.797 -1.547 . . . . 1.27 110.112 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.44 ' HB2' HG13 ' B' ' 4' ' ' VAL . 21.8 m-20 -64.87 -40.11 94.62 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 1.3100000000000001 110.4 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.467 ' HA ' HD23 ' B' ' 45' ' ' LEU . 52.4 t -60.52 -39.82 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 0.28000000000000003 110.676 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -70.87 -45.53 64.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.475 -0.784 . . . . 0.37 111.502 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -42.57 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 2.3399999999999999 111.258 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.62 ' CB ' HD21 ' B' ' 45' ' ' LEU . 76.5 t80 -66.69 -41.67 87.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 1.5800000000000001 111.091 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -74.57 -13.23 60.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.963 -0.562 . . . . 0.64000000000000001 111.81 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.99 77.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.58999999999999997 112.372 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' B' ' 13' ' ' ALA . 26.9 m -114.37 173.49 3.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 110.374 -0.232 . . . . 0.5 110.374 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 86.5 p -72.36 155.73 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.744 -0.835 . . . . 0.64000000000000001 108.744 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.562 ' HD2' ' CD2' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -67.05 -18.43 65.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.503 0.668 . . . . 1.49 109.875 -179.258 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.564 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 21.5 mt-30 -81.33 -19.88 41.88 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.675 -0.693 . . . . 0.96999999999999997 110.16 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -66.74 -36.03 81.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.978 -1.119 . . . . 0.54000000000000004 107.978 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.417 HG13 ' CG1' ' B' ' 38' ' ' VAL . 63.9 t -76.09 -38.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.494 -1.23 . . . . 0.44 108.946 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.2 t -55.18 -35.54 64.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.276 -0.875 . . . . 1.29 110.415 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HD3' ' HB2' ' B' ' 29' ' ' HIS . 24.8 mtt180 -68.69 -48.22 64.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 110.643 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.52 -36.4 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.41 0.624 . . . . 0.73999999999999999 110.08 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.517 HG21 HD12 ' B' ' 6' ' ' LEU . 13.1 t -70.64 -35.02 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 110.721 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.13 -86.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 1.6799999999999999 111.061 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -153.18 44.79 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.405 -0.816 . . . . 4.0300000000000002 109.977 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.11 -135.54 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.747 0.655 . . . . 2.1499999999999999 110.116 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p 65.23 137.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.665 0.786 . . . . 1.98 111.912 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.902 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 0.1 OUTLIER 62.25 24.82 14.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.664 -0.698 . . . . 1.3100000000000001 111.447 -179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 122.71 56.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.79 0.328 . . . . 1.22 110.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 158.41 30.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.876 -0.602 . . . . 1.4199999999999999 110.206 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -45.42 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.854 0.316 . . . . 1.0700000000000001 111.854 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.93 -42.23 97.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.542 0.571 . . . . 3.2999999999999998 112.542 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.429 ' O ' HG23 ' B' ' 38' ' ' VAL . 12.3 p -79.89 -42.42 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.757 -0.377 . . . . 0.79000000000000004 111.793 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -56.44 -50.56 71.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 3.21 111.286 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -71.42 -26.6 62.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 2.0899999999999999 111.21 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.48 -38.94 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 1.6599999999999999 110.117 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 34' ' ' THR . 51.5 t -60.61 -49.77 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.42999999999999999 110.527 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.73 -36.03 79.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.595 -0.73 . . . . 1.79 110.802 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.44 -40.56 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.69999999999999996 110.781 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.42 72.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.912 -0.585 . . . . 0.46999999999999997 110.683 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.57 -25.71 64.8 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.87 -0.605 . . . . 0.52000000000000002 110.667 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.37 -21.0 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.62 111.253 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.81 -46.52 18.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.55 110.586 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' B' ' 12' ' ' TYR . 1.0 OUTLIER -81.98 -16.21 51.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.98999999999999999 110.422 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.494 ' O ' HG12 ' B' ' 48' ' ' ILE . 62.7 t30 68.82 61.29 0.34 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.074 -1.454 . . . . 1.77 107.074 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.645 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.3 t80 -55.0 108.37 0.4 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.25 -1.341 . . . . 1.3300000000000001 112.554 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.588 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 35.1 mm -113.64 89.54 15.92 Favored Pre-proline 0 N--CA 1.453 -0.309 0 N-CA-C 107.278 -1.379 . . . . 1.28 107.278 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 11.7 Cg_exo -27.24 126.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 1 C-N-CA 125.412 4.075 . . . . 0.82999999999999996 115.607 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -74.38 68.4 1.54 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.341 -0.845 . . . . 1.6399999999999999 108.771 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -45.6 -35.36 3.96 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 114.041 1.126 . . . . 4.7599999999999998 114.041 -177.252 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 90.6 m -62.8 -49.02 76.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.648 -0.421 . . . . 0.69999999999999996 111.601 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -84.41 -27.5 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.54000000000000004 111.566 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 60.0 mt-30 -75.45 -35.68 60.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.784 0.29 . . . . 1.49 111.784 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -69.16 -39.72 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.182 -1.044 . . . . 2.52 108.182 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.99 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.6 tp -65.12 -64.98 0.73 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.902 -1.499 . . . . 0.57999999999999996 110.888 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.834 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -76.29 7.26 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.02 113.308 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 21.87 4.96 Favored Glycine 0 N--CA 1.455 -0.067 0 C-N-CA 120.604 -0.808 . . . . 2.1299999999999999 112.95 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.646 ' HB2' " H4'" ' D' ' 12' ' ' ' DC' . 5.6 mttp -139.69 153.55 47.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.807 0.337 . . . . 5.0700000000000003 110.324 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -134.42 101.02 4.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 7.3399999999999999 110.394 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 57.9 m 65.49 104.01 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 124.02 0.825 . . . . 6.96 111.361 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.377 -0.82 . . . . 7.96 111.281 -179.119 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 106.941 0.765 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.268 -0.932 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.827 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.226 1.023 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.827 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 N19-C1'-C2' 115.742 0.964 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.61 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C2'-C3'-O3' 114.541 1.46 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.518 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 102.251 -0.949 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.46 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 107.046 0.86 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.489 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C2'-C3'-O3' 113.324 1.009 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.489 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.538 0.922 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.426 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C5'-C4'-O4' 107.944 -0.91 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.604 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.444 1.02 0 C2'-C3'-O3' 115.225 1.713 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.834 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C1'-N19 109.664 2.33 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.721 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.206 0 P-O5'-C5' 117.393 -2.192 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.462 ' C2 ' ' N7 ' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.013 0.83 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.217 -0.983 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.503 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 C4'-C3'-C2' 102.278 -0.922 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.539 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.365 -0.835 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.539 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 102.385 -0.815 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.532 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-C2' 107.036 0.851 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.413 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 N19-C1'-C2' 115.824 1.015 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.439 " O5'" ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.513 0 O4'-C1'-C2' 107.07 0.882 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.403 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.302 -0.898 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.719 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C5'-C4'-C3' 116.311 1.074 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.719 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 N19-C1'-C2' 116.017 1.136 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.902 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 N19-C1'-C2' 115.892 1.057 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.555 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 C4'-C3'-C2' 102.215 -0.985 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.555 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C5'-C4'-C3' 116.035 0.89 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.441 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.516 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.516 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-N19 108.91 1.388 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.411 ' OP2' H2'' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.833 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-O3' 113.545 1.475 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.99 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 116.039 1.149 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-N19 109.764 2.455 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.526 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.185 0 C2'-C3'-O3' 113.264 0.987 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.514 ' C5 ' ' C2 ' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.005 0.823 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.453 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C2'-C3'-O3' 112.799 0.814 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.421 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 106.979 0.799 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-C2' 102.261 -0.939 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C4'-C3'-C2' 102.311 -0.889 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.462 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 107.05 0.864 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.424 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 N19-C1'-C2' 116.018 1.136 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.026 0.841 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.129 -0.323 . . . . 6.4100000000000001 110.129 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -91.58 126.72 53.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 4.7300000000000004 110.377 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -76.19 85.48 1.67 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.347 2.031 . . . . 1.3 111.131 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.703 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 20.2 t -76.34 132.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.71 -0.677 . . . . 0.54000000000000004 109.933 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.5 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -107.8 171.18 7.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.932 -0.576 . . . . 0.40999999999999998 110.324 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.933 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -66.47 -15.72 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.28999999999999998 110.44 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -74.54 -36.13 63.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.986 -0.746 . . . . 0.48999999999999999 108.986 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.52 -40.35 85.12 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.401 -0.818 . . . . 1.75 110.035 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 t -66.73 -41.73 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.492 -0.777 . . . . 0.22 109.809 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.27 88.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.239 -0.891 . . . . 0.29999999999999999 110.719 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.83 -29.45 63.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.89 0.376 . . . . 2.21 111.216 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.9 t80 -76.85 -36.18 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 1.49 111.147 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.47 -13.98 31.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.873 0.368 . . . . 0.46000000000000002 111.412 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.39 33.75 38.38 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.359 -0.696 . . . . 0.52000000000000002 111.359 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -123.71 -164.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.806 -0.442 . . . . 0.35999999999999999 109.806 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.531 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 51.0 p -104.53 154.94 19.27 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.534 -0.543 . . . . 1.26 109.534 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.933 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.1 p90 -62.45 -27.68 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.168 0.509 . . . . 1.3200000000000001 109.676 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.3 tp60 -65.74 -41.98 91.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.863 -0.791 . . . . 1.0900000000000001 108.863 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.5 m -61.91 -45.26 94.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.7 -0.682 . . . . 0.48999999999999999 109.343 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 68.9 t -56.85 -49.17 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.79 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.6 t -62.31 -34.66 77.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 0.87 110.5 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 89.5 mtt-85 -69.49 -23.92 63.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 2.0299999999999998 110.449 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 35' ' ' ARG . 94.2 t -85.27 -51.53 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.186 0.517 . . . . 0.44 110.224 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' VAL . 48.8 t -60.37 -46.93 94.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.40999999999999998 112.45 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -100.08 1.37 42.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 54.44 61.14 3.14 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.321 0.581 . . . . 4.8799999999999999 109.866 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -92.58 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.593 -0.73 . . . . 2.27 111.898 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 5.0 t 60.76 -174.6 0.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.219 -0.446 . . . . 1.52 110.632 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.624 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.0 OUTLIER 59.68 33.57 21.93 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.296 0.239 . . . . 0.76000000000000001 111.098 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -128.23 130.45 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.928 0.394 . . . . 1.1599999999999999 111.191 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -101.21 155.8 17.81 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.577 -0.738 . . . . 1.3 109.243 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.5 -34.38 70.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 1.0600000000000001 111.278 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 74.3 tttt -54.9 -44.69 74.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.84 -0.618 . . . . 3.3900000000000001 111.795 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -93.51 -34.43 13.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.587 0.588 . . . . 0.65000000000000002 112.587 -179.472 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.655 ' HG3' HG13 ' A' ' 23' ' ' VAL . 56.5 ttt180 -58.41 -43.3 88.58 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.029 0.381 . . . . 3.3100000000000001 112.029 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 32.8 mt-10 -70.36 -27.19 64.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.649 0.611 . . . . 1.45 112.649 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 34' ' ' THR . 16.3 ptpt -81.53 -28.76 33.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.246 -0.582 . . . . 0.97999999999999998 110.111 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 84.5 t -73.79 -42.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.495 . . . . 0.35999999999999999 109.72 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 1.5900000000000001 109.817 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.37 -43.51 27.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.52000000000000002 110.873 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -60.61 -44.14 96.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.37 111.79 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.709 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.5 ptp -68.8 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.39000000000000001 111.462 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.61 -10.9 30.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.155 0.502 . . . . 0.53000000000000003 109.769 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.1 mm-40 -87.25 -57.11 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 1.3600000000000001 111.186 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -86.39 3.21 44.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.429 -0.805 . . . . 1.8799999999999999 112.536 -179.093 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m120 62.16 66.84 0.77 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.585 0.553 . . . . 2.0099999999999998 111.481 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.2 t80 -78.06 136.76 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.978 -0.556 . . . . 1.1599999999999999 111.212 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.92 113.74 32.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 1.1599999999999999 110.452 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.02 122.09 10.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 0.55000000000000004 111.469 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -80.0 108.46 13.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.54000000000000004 112.049 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -72.58 -22.77 60.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 5.04 110.892 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.84 -42.65 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.495 0.664 . . . . 0.82999999999999996 109.714 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -72.03 -30.12 64.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.248 -0.887 . . . . 0.45000000000000001 109.82 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -65.48 -40.35 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.393 -0.821 . . . . 1.21 110.177 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.69 -33.71 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.8 -0.636 . . . . 2.0099999999999998 110.486 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.9 tp -73.94 -49.65 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.51000000000000001 111.173 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.454 ' CB ' " H5'" ' D' ' 15' ' ' ' DT' . . . -63.37 -27.9 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.48999999999999999 110.768 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.03 -2.95 87.88 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.158 -0.777 . . . . 1.1399999999999999 111.158 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' P ' ' C' ' 12' ' ' ' DG' . 61.5 tttm 70.34 -58.7 0.54 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.982 0.913 . . . . 6.3499999999999996 111.726 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -88.4 105.97 17.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.141 -0.481 . . . . 6.5 110.641 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -92.22 116.95 29.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.195 -0.457 . . . . 7.21 109.866 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.283 -0.865 . . . . 9.6300000000000008 111.361 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 121.158 0.504 . . . . 7.5 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 16.0 tptm -100.56 116.43 64.29 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.099 -0.5 . . . . 4.8700000000000001 110.513 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 6.2 Cg_exo -73.45 96.75 0.91 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.954 2.436 . . . . 1.49 112.193 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 48.4 t -86.77 140.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.591 -0.731 . . . . 0.78000000000000003 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.752 ' HA ' HD22 ' B' ' 50' ' ' ASN . 16.2 p -93.0 166.86 12.16 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.373 -0.603 . . . . 0.5 109.373 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.84 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -81.1 -5.81 58.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.235 -1.024 . . . . 0.65000000000000002 108.235 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.716 ' CE1' " H2'" ' C' ' 13' ' ' ' DG' . 5.1 m-85 -81.18 -31.06 34.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.225 -1.352 . . . . 1.27 109.263 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.54 -32.01 69.28 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.362 -0.836 . . . . 1.3100000000000001 109.119 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' B' ' 45' ' ' LEU . 46.7 t -64.67 -42.7 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.979 -1.009 . . . . 0.28000000000000003 110.362 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -65.59 -50.54 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.37 111.586 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 13.3 mm-40 -62.64 -37.95 88.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 2.3399999999999999 111.845 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.523 ' CB ' HD21 ' B' ' 45' ' ' LEU . 89.9 t80 -66.88 -49.2 66.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.693 0.283 . . . . 1.5800000000000001 111.017 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.63 -29.4 70.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.342 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.07 59.85 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.589 -0.815 . . . . 0.58999999999999997 111.778 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.93 164.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.042 -0.355 . . . . 0.5 110.042 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -67.97 149.15 50.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.741 -0.837 . . . . 0.64000000000000001 108.741 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.649 ' HE2' ' C8 ' ' C' ' 14' ' ' ' DA' . 64.9 t80 -59.18 -30.89 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 1.49 110.831 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.45 -34.09 77.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.96999999999999997 110.449 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.0 m -59.8 -33.87 72.29 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.637 0.732 . . . . 0.54000000000000004 109.064 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' B' ' 10' ' ' ALA . 62.6 t -71.76 -52.29 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.293 -0.867 . . . . 0.44 108.946 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.5 t -48.79 -34.5 12.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.818 -0.628 . . . . 1.29 111.307 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 41.3 mmt180 -58.82 -59.55 5.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 2.6600000000000001 110.492 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -60.76 -39.56 82.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.925 -0.58 . . . . 0.73999999999999999 111.343 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.06 -34.51 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.716 . . . . 0.89000000000000001 111.238 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.447 HD21 " H3'" ' C' ' 15' ' ' ' DT' . 8.0 m-80 -77.52 -74.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 1.6799999999999999 111.371 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -169.03 47.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.302 -0.863 . . . . 4.0300000000000002 109.788 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.87 -129.21 1.54 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.248 -0.887 . . . . 2.1499999999999999 110.408 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 70.74 124.2 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.174 0.511 . . . . 1.98 111.53 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.722 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 59.74 39.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.549 -0.751 . . . . 1.3100000000000001 111.377 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -134.39 131.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.882 0.372 . . . . 1.22 110.538 178.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.02 167.74 10.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.891 -0.595 . . . . 1.4199999999999999 109.928 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.16 71.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 1.0700000000000001 111.196 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HE2' ' B' ' 37' ' ' LYS . 52.4 mtmt -62.31 -31.29 71.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 3.2999999999999998 111.982 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 38' ' ' VAL . 2.9 p -103.52 -48.53 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.319 0.488 . . . . 0.79000000000000004 112.319 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.481 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 33.0 ttp180 -56.0 -52.93 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.709 0.29 . . . . 3.21 111.604 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -65.02 -34.26 78.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.128 0.489 . . . . 2.0899999999999999 110.277 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 24.3 ttmm -62.4 -43.04 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.752 -0.658 . . . . 1.6599999999999999 111.078 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 34' ' ' THR . 66.4 t -68.47 -48.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.42999999999999999 110.817 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.34 -42.41 86.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.429 -0.351 . . . . 1.79 110.736 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.57 -37.28 79.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.069 -0.514 . . . . 0.69999999999999996 111.017 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.4 73.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.46999999999999997 110.426 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.44 -25.24 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.52000000000000002 110.52 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.87 -29.98 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.62 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 47.8 mm-40 -70.26 -50.4 40.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.2 0.524 . . . . 1.55 110.166 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.558 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.5 OUTLIER -77.4 -16.69 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.6 -0.727 . . . . 0.98999999999999999 110.67 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.38 49.82 2.42 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 106.523 -1.658 . . . . 1.77 106.523 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.2 t80 -53.95 122.32 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 113.507 -1.678 . . . . 1.3300000000000001 112.775 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 mm -106.58 102.83 43.57 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 107.41 -1.33 . . . . 1.28 107.41 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 47' ' ' TYR . 21.7 Cg_exo -34.27 125.45 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 124.075 3.183 . . . . 0.82999999999999996 114.672 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.752 HD22 ' HA ' ' B' ' 5' ' ' THR . 0.9 OUTLIER -73.86 59.11 0.67 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.938 -1.028 . . . . 1.6399999999999999 110.104 179.562 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -48.66 -39.65 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.112 0.782 . . . . 4.7599999999999998 113.112 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.5 m -59.75 -53.28 59.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.779 0.263 . . . . 0.69999999999999996 111.539 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.512 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -76.76 -23.68 52.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.591 -0.277 . . . . 0.54000000000000004 111.447 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.4 -41.49 56.08 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.431 0.16 . . . . 1.49 111.431 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -64.29 -38.75 92.16 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.487 -0.931 . . . . 2.52 108.487 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.95 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -63.83 -61.13 2.49 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 113.998 -1.455 . . . . 0.57999999999999996 109.657 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.668 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -76.28 55.38 0.97 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.411 -0.813 . . . . 1.02 111.373 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' B' ' 62' ' ' LEU . . . -89.46 43.79 3.03 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.051 -0.595 . . . . 2.1299999999999999 112.092 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 69.15 -73.06 0.09 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.43 0.692 . . . . 5.0700000000000003 111.452 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -133.26 -46.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 7.3399999999999999 111.024 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -148.65 -17.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.609 -0.268 . . . . 6.96 111.501 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.639 ' HB2' ' HA3' ' B' ' 58' ' ' GLY . 20.8 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.534 -0.746 . . . . 7.96 111.014 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.607 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.088 0.898 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.315 -0.885 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.778 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.85 0 O4'-C1'-C2' 107.213 1.012 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.778 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.544 0 O4'-C1'-C2' 107.155 0.959 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.624 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.441 0.767 0 N19-C1'-C2' 116.176 1.235 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.531 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.488 0.861 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.422 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.154 0.958 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.211 -0.989 . . . . 0.70999999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O4'-C1'-C2' 107.032 0.847 . . . . 0.72999999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.477 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.481 -0.719 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.623 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.943 0 C2'-C3'-O3' 115.5 1.815 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.716 " H2'" ' CE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C1'-N19 109.495 2.118 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.84 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.325 0 C5'-C4'-C3' 118.371 2.447 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.448 ' OP2' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.526 0 P-O3'-C3' 120.996 1.08 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C5'-C4'-C3' 116.057 0.905 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.411 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.024 0.84 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.386 -0.814 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 102.288 -0.912 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.432 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C4'-C3'-C2' 102.337 -0.863 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.441 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C4'-C3'-C2' 102.228 -0.972 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.441 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.079 0.89 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.418 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 115.754 0.972 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O4'-C1'-C2' 107.07 0.881 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 102.191 -1.009 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.498 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.127 0.933 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.722 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 N19-C1'-C2' 116.431 1.394 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.512 " H5'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 N19-C1'-C2' 116.062 1.164 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.575 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 102.266 -0.934 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.575 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C4'-C3'-C2' 102.181 -1.019 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.439 ' OP2' H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 106.961 0.782 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.294 -0.906 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.46 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.034 0.849 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.41 -0.79 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.888 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C4'-C3'-O3' 113.412 1.415 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.95 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 N19-C1'-C2' 116.517 1.448 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.573 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.751 2.439 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.456 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.073 0 C2'-C3'-O3' 113.413 1.042 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 106.897 0.725 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 102.222 -0.978 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.461 ' OP2' H2'' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 107.025 0.841 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.405 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 102.263 -0.937 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.546 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.535 0 O4'-C1'-N19 108.57 0.963 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.546 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O4'-C1'-N19 108.628 1.034 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.46 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 106.917 0.743 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 ttp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.826 0.346 . . . . 6.4100000000000001 110.129 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -99.68 116.02 65.15 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.288 -0.415 . . . . 4.7300000000000004 110.069 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -69.86 109.56 2.36 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.321 2.014 . . . . 1.3 111.555 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.747 HG11 ' HG ' ' A' ' 45' ' ' LEU . 26.1 t -81.56 130.99 34.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.798 -0.637 . . . . 0.54000000000000004 109.646 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.8 OUTLIER -103.31 169.15 8.72 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.894 -0.594 . . . . 0.40999999999999998 110.372 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.73 -16.9 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.525 -0.307 . . . . 0.28999999999999998 110.353 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -73.71 -35.06 65.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.475 -0.565 . . . . 0.48999999999999999 109.475 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.67 77.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 1.75 109.884 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD21 ' A' ' 45' ' ' LEU . 21.8 t -69.75 -42.13 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.22 110.294 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.22 85.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.831 . . . . 0.29999999999999999 110.125 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.72 -34.58 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 2.21 110.245 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.6 t80 -70.24 -40.14 74.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.201 -0.454 . . . . 1.49 111.451 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.13 -15.03 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.46000000000000002 111.354 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.49 36.53 33.67 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.098 -0.801 . . . . 0.52000000000000002 111.098 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.6 m -124.47 -162.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.045 -0.577 . . . . 0.35999999999999999 110.248 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.504 ' HB2' ' C7 ' ' C' ' 7' ' ' ' DT' . 47.3 p -104.62 157.35 17.24 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.018 -0.734 . . . . 1.26 109.018 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.854 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 45.3 p90 -65.79 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.233 -0.587 . . . . 1.3200000000000001 109.514 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.421 HE21 ' HG3' ' A' ' 22' ' ' ARG . 9.9 tp60 -66.79 -39.78 87.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.57 -0.9 . . . . 1.0900000000000001 108.57 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.3 m -62.49 -44.96 95.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.48999999999999999 109.546 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 38' ' ' VAL . 76.6 t -56.31 -50.81 69.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.183 -0.917 . . . . 0.25 110.603 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -61.41 -37.64 84.2 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.211 -0.45 . . . . 0.87 110.858 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 72.4 mtt-85 -63.23 -30.71 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.397 -0.365 . . . . 2.0299999999999998 110.818 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' THR . 64.1 t -83.13 -48.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.407 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HE2' ' A' ' 47' ' ' TYR . 92.4 t -59.42 -42.25 87.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.378 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -82.58 -17.0 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 1.72 111.079 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 62.97 57.71 1.61 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.58 0.55 . . . . 4.8799999999999999 110.227 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.72 -155.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 2.27 111.796 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.62 -179.96 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.52 110.715 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.675 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.0 OUTLIER 63.67 30.21 14.88 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.793 0.437 . . . . 0.76000000000000001 111.139 -178.625 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 1.6 t -124.45 116.94 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.566 -0.454 . . . . 1.1599999999999999 111.248 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 p -84.46 149.72 25.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.712 -0.676 . . . . 1.3 109.44 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.71 -26.38 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.257 -0.429 . . . . 1.0600000000000001 111.591 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 37.6 ttpt -61.97 -57.2 12.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 3.3900000000000001 111.302 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.556 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.88 -29.11 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.424 0.527 . . . . 0.65000000000000002 112.424 -178.508 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG3' HG13 ' A' ' 23' ' ' VAL . 41.6 ttm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 3.3100000000000001 111.057 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 52.0 mt-10 -74.26 -24.09 59.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.777 -0.647 . . . . 1.45 111.622 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 23.1 mtpp -77.5 -38.74 48.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.97999999999999998 110.176 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 20' ' ' VAL . 61.0 t -71.19 -44.82 73.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.35999999999999999 110.965 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -62.89 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.284 0.564 . . . . 1.5900000000000001 110.061 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.38 -42.14 59.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.739 -0.664 . . . . 0.52000000000000002 110.913 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -66.28 -42.74 88.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.37 112.066 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.4 ptp -68.13 -10.09 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.057 0.391 . . . . 0.39000000000000001 112.057 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.77 -16.94 22.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.53000000000000003 110.209 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -80.83 -60.01 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 1.3600000000000001 110.743 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.747 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -81.91 0.58 39.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 1.8799999999999999 112.458 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 62.92 67.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.126 0.489 . . . . 2.0099999999999998 111.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.763 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.1 t80 -75.15 130.89 39.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.707 -0.678 . . . . 1.1599999999999999 111.43 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.93 106.66 55.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 1.1599999999999999 110.327 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.3 120.26 7.84 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.526 2.151 . . . . 0.55000000000000004 111.184 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.519 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 47.5 m-80 -79.66 108.32 13.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.327 -0.397 . . . . 0.54000000000000004 111.535 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -73.45 -22.69 60.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 5.04 110.768 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -77.92 -41.31 36.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.357 -0.383 . . . . 0.82999999999999996 110.105 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.655 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.83 -30.79 69.41 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.45000000000000001 109.757 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.74 -41.07 88.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.799 -0.637 . . . . 1.21 110.543 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.39 -32.7 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 2.0099999999999998 109.972 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.631 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.0 tp -75.35 -50.55 15.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 110.623 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.36 -31.83 72.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.48999999999999999 110.783 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.86 1.7 87.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.029 -0.605 . . . . 1.1399999999999999 111.851 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt 68.19 112.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.313 0.645 . . . . 6.3499999999999996 111.616 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -103.52 128.43 50.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.402 0.62 . . . . 6.5 110.926 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -124.19 -19.56 5.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.666 -0.697 . . . . 7.21 110.169 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.549 -0.75 . . . . 9.6300000000000008 110.12 -179.669 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.64 -0.133 . . . . 7.5 110.64 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 53.28 75.19 0.66 Allowed Pre-proline 0 N--CA 1.466 0.355 0 O-C-N 123.45 0.469 . . . . 4.8700000000000001 111.41 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -83.52 98.46 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.511 2.141 . . . . 1.49 112.045 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.732 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.7 t -65.51 136.02 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.735 . . . . 0.78000000000000003 109.556 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.568 HG22 HD21 ' B' ' 50' ' ' ASN . 16.6 p -90.75 169.25 11.12 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.843 -0.617 . . . . 0.5 111.455 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.686 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -79.44 -7.7 58.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.458 -1.312 . . . . 0.65000000000000002 107.458 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.777 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 18.5 m-85 -79.78 -44.54 20.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 113.718 -1.583 . . . . 1.27 109.628 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.54 -37.19 86.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.275 -0.875 . . . . 1.3100000000000001 110.989 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' B' ' 45' ' ' LEU . 56.5 t -62.64 -41.79 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.319 0.581 . . . . 0.28000000000000003 109.946 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -50.27 63.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.201 -0.909 . . . . 0.37 111.189 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 91.9 mt-10 -57.64 -36.56 72.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 2.3399999999999999 111.286 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 80.0 t80 -68.95 -51.47 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 1.5800000000000001 111.205 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.701 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -65.09 -30.74 71.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.64000000000000001 111.736 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.11 8.37 41.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.943 -0.646 . . . . 0.58999999999999997 112.164 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.97 169.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.243 . . . . 0.5 110.345 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.92 41.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.321 -0.622 . . . . 0.64000000000000001 109.321 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.583 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -62.76 -25.82 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 1.49 110.525 -179.472 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.5 -22.34 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.426 . . . . 0.96999999999999997 110.424 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -67.22 -29.18 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.643 -0.873 . . . . 0.54000000000000004 108.643 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.21 -41.0 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.042 -0.981 . . . . 0.44 109.066 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -50.82 -30.99 15.76 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.885 -0.598 . . . . 1.29 110.626 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.12 -64.07 0.93 Allowed 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.587 -0.733 . . . . 2.6600000000000001 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.43 HG23 ' H ' ' B' ' 23' ' ' VAL . 3.6 t -58.43 -29.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.73999999999999999 111.714 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.506 HG21 HD12 ' B' ' 6' ' ' LEU . 15.0 t -67.3 -29.19 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.29 -0.414 . . . . 0.89000000000000001 111.564 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -119.52 -85.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.334 0.588 . . . . 1.6799999999999999 110.677 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -115.19 103.76 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.1 -0.955 . . . . 4.0300000000000002 108.908 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.69 57.25 0.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.592 -0.731 . . . . 2.1499999999999999 112.779 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.444 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.4 p -98.59 149.12 23.1 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.273 -1.01 . . . . 1.98 108.273 178.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.577 ' CG ' ' H73' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.16 34.31 21.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 1.3100000000000001 109.535 -177.702 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 28' ' ' SER . 21.2 t -129.71 122.45 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 1.22 109.811 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.51 161.97 26.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 1.4199999999999999 110.676 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.87 -52.9 61.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.514 0.509 . . . . 1.0700000000000001 111.705 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -59.6 -39.48 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 3.2999999999999998 111.227 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 20.2 m -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.607 -0.269 . . . . 0.79000000000000004 111.604 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 35' ' ' ARG . 19.6 ttt85 -61.88 -50.36 72.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.167 -0.309 . . . . 3.21 110.167 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.25 -33.59 73.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.752 -0.658 . . . . 2.0899999999999999 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.701 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 36.3 ttmt -63.39 -47.41 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 1.6599999999999999 110.643 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.48 -47.31 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.42999999999999999 111.508 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.44 -38.78 81.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.79 111.075 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.01 84.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.69999999999999996 110.26 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.41 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.46999999999999997 110.734 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 60.7 mtt -59.61 -27.05 65.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.259 -0.428 . . . . 0.52000000000000002 110.297 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.87 -19.45 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.62 111.136 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -75.87 -51.94 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.55 110.375 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' B' ' 9' ' ' VAL . 1.2 mm? -80.57 -15.72 55.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 0.98999999999999999 110.463 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.488 ' O ' HG13 ' B' ' 48' ' ' ILE . 67.1 t30 69.07 54.87 0.43 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.392 -1.336 . . . . 1.77 107.392 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.732 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.1 t80 -52.37 117.0 2.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.09 -1.414 . . . . 1.3300000000000001 112.745 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 46' ' ' ASN . 78.3 mt -124.19 93.23 47.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.454 -1.248 . . . . 1.28 107.784 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.518 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.9 Cg_exo -33.43 127.88 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.795 3.663 . . . . 0.82999999999999996 114.675 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.568 HD21 HG22 ' B' ' 5' ' ' THR . 1.8 m120 -55.21 91.67 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.245 0 O-C-N 124.097 0.873 . . . . 1.6399999999999999 110.76 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -54.38 -35.95 63.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.941 0.401 . . . . 4.7599999999999998 111.638 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 19.2 m -77.99 -56.09 4.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.236 0.458 . . . . 0.69999999999999996 112.236 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.55 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -70.82 -37.39 73.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.9 1.074 . . . . 0.54000000000000004 113.9 -177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 55.7 mt-30 -69.76 -45.04 68.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.301 0.5 . . . . 1.49 112.11 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -65.02 -35.36 80.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.237 0.541 . . . . 2.52 109.81 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 1.025 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.6 tp -67.58 -68.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.953 -1.021 . . . . 0.57999999999999996 110.549 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.896 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -52.54 -36.29 55.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.257 -0.883 . . . . 1.02 112.468 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.58 78.92 1.12 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.639 -0.791 . . . . 2.1299999999999999 112.559 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.572 ' HA ' H5'' ' C' ' 15' ' ' ' DT' . 17.5 pttp -75.29 -22.19 57.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.398 0.618 . . . . 5.0700000000000003 109.747 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.77 44.29 2.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.271 -0.877 . . . . 7.3399999999999999 110.145 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -70.35 123.57 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.898 -0.592 . . . . 6.96 110.904 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.571 -0.728 . . . . 7.96 109.942 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.583 0 O4'-C1'-C2' 107.045 0.859 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 102.336 -0.864 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.791 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.714 0 O4'-C1'-C2' 107.141 0.946 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.791 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.151 0.955 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.675 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 N19-C1'-C2' 116.162 1.226 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.46 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O4'-C1'-C2' 106.997 0.816 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.504 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.411 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C1'-C2' 107.015 0.832 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.411 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 102.246 -0.954 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.439 ' C4 ' ' C4 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.086 0.897 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.471 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 102.415 -0.785 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.631 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.205 0 C2'-C3'-O3' 115.599 1.852 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.896 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 O4'-C1'-N19 109.331 1.914 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.686 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.418 -1.364 0 C5'-C4'-C3' 118.33 2.42 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.572 H5'' ' HA ' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 P-O3'-C3' 120.911 1.009 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.466 ' N6 ' ' C4 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.095 0.904 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.423 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.423 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.007 0.825 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 C4'-C3'-C2' 102.274 -0.926 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.586 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.241 -0.959 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.586 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 N19-C1'-C2' 115.56 0.85 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.511 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 N19-C1'-C2' 116.177 1.236 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.459 " O5'" ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 107.128 0.934 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.498 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C4'-C3'-C2' 102.293 -0.907 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.807 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O4'-C1'-C2' 107.221 1.019 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.807 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 N19-C1'-C2' 116.481 1.425 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.535 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C2'-C3'-O3' 114.173 1.323 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.715 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 O4'-C1'-C2' 107.281 1.073 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.715 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.09 0.9 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.216 1.014 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 102.3 -0.9 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.461 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.081 0.892 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C4'-C3'-C2' 102.382 -0.818 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.922 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-O3' 113.081 1.264 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 1.025 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 N19-C1'-C2' 116.373 1.358 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.655 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.485 2.106 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.51 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 106.981 0.801 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 102.369 -0.831 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 102.226 -0.974 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.416 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C4'-C3'-C2' 102.414 -0.786 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.151 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.513 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.564 0.955 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.513 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.46 ' H71' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 C4'-C3'-C2' 102.322 -0.878 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.039 0.854 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tmm? . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.348 -0.241 . . . . 6.4100000000000001 110.348 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -104.51 116.53 60.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 110.222 -0.288 . . . . 4.7300000000000004 110.222 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.62 105.0 1.91 Allowed 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.358 2.038 . . . . 1.3 112.436 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.765 HG11 ' HG ' ' A' ' 45' ' ' LEU . 59.7 t -92.54 132.56 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.104 -0.702 . . . . 0.54000000000000004 109.104 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.576 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 1.0 OUTLIER -105.1 172.64 6.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.456 -0.338 . . . . 0.40999999999999998 110.657 -178.135 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -64.57 -17.65 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.122 -0.49 . . . . 0.28999999999999998 110.646 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.07 -33.52 63.71 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.423 -0.353 . . . . 0.48999999999999999 110.457 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.53 -35.14 60.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.723 -0.473 . . . . 1.75 109.723 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.3 -43.5 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.364 -0.606 . . . . 0.22 109.364 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.84 94.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.175 -0.92 . . . . 0.29999999999999999 110.078 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.614 -0.721 . . . . 2.21 110.464 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.7 t80 -76.07 -39.81 54.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 1.49 111.095 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.76 -16.41 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.46000000000000002 111.676 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.17 33.37 32.69 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.583 -0.817 . . . . 0.52000000000000002 111.425 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.8 m -123.3 -175.16 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.998 -0.601 . . . . 0.35999999999999999 109.835 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -94.97 157.51 15.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.155 -0.684 . . . . 1.26 109.155 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.654 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 54.2 p90 -60.14 -32.66 71.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.61 -0.436 . . . . 1.3200000000000001 110.928 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 10.0 tp60 -66.19 -33.25 75.33 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.109 -0.7 . . . . 1.0900000000000001 109.109 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.61 -39.51 88.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.48999999999999999 109.87 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.614 ' HA ' HG11 ' A' ' 38' ' ' VAL . 52.1 t -60.06 -57.19 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.25 110.257 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 66.0 m -63.56 -25.25 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.87 110.393 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.7 tpp180 -61.76 -32.04 72.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 2.0299999999999998 109.835 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.913 HG22 HG11 ' A' ' 30' ' ' VAL . 40.4 t -88.7 -46.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.165 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.7 t -62.37 -55.62 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 114.439 1.274 . . . . 0.40999999999999998 114.439 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -122.03 3.49 9.91 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.738 1.384 . . . . 1.72 114.738 -175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.477 ' CG ' ' HA ' ' A' ' 22' ' ' ARG . 70.1 mm-40 -106.03 -45.58 4.3 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.478 -0.889 . . . . 4.8799999999999999 111.356 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.65 27.22 13.93 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.42 0.629 . . . . 2.27 111.497 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 p -146.54 156.03 42.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.453 -0.794 . . . . 1.52 108.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.748 ' CG ' ' H72' ' C' ' 4' ' ' ' DT' . 4.2 m170 63.72 26.56 14.52 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.514 0.326 . . . . 0.76000000000000001 111.415 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -122.94 132.89 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.1599999999999999 111.458 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -90.95 163.18 14.44 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.361 -0.836 . . . . 1.3 108.964 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.99 82.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 1.0600000000000001 111.081 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 42.9 tttm -58.88 -45.23 90.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 3.3900000000000001 111.771 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -81.67 -40.33 23.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.347 0.499 . . . . 0.65000000000000002 112.347 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' A' ' 23' ' ' VAL . 42.3 ttp180 -57.97 -50.26 74.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.959 0.355 . . . . 3.3100000000000001 111.959 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -75.64 -11.44 60.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.149 -0.478 . . . . 1.45 111.98 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 18.8 ttmm -90.53 -35.43 15.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.409 . . . . 0.97999999999999998 110.28 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.3 t -75.47 -43.85 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.884 -0.598 . . . . 0.35999999999999999 110.043 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -61.72 -31.55 71.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 1.5900000000000001 109.85 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -80.61 -36.52 32.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.52000000000000002 111.087 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.596 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.31 -44.36 83.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.37 111.203 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.836 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.4 ptp -69.26 -8.5 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 0.39000000000000001 111.202 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -23.07 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.232 0.539 . . . . 0.53000000000000003 110.348 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 7.3 mm-40 -78.16 -57.1 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 1.3600000000000001 111.226 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.765 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -85.17 0.96 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.858 -0.61 . . . . 1.8799999999999999 112.33 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t30 59.2 77.06 0.33 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.728 0.775 . . . . 2.0099999999999998 110.657 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.3 t80 -82.51 138.76 34.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.982 -1.008 . . . . 1.1599999999999999 110.962 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.6 112.12 34.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.1599999999999999 110.321 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 119.68 6.8 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.444 2.096 . . . . 0.55000000000000004 111.528 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 46.2 m-80 -76.04 105.99 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.54000000000000004 111.21 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -69.26 -28.94 66.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 5.04 110.804 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.522 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.97 -42.47 66.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.821 -0.437 . . . . 0.82999999999999996 109.821 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.6 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.69 -31.58 72.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.394 -0.595 . . . . 0.45000000000000001 109.394 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -66.58 -41.87 87.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.938 -1.028 . . . . 1.21 110.326 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.16 -32.38 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.767 -0.652 . . . . 2.0099999999999998 110.311 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.668 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.3 tp -77.66 -45.58 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.51000000000000001 110.933 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' CB ' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.07 -24.27 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.48999999999999999 110.83 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.27 56.19 3.28 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.876 -0.678 . . . . 1.1399999999999999 112.266 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.54 -38.28 80.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.621 0.248 . . . . 6.3499999999999996 110.632 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.93 66.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.66 . . . . 6.5 109.883 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -8.17 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.549 -0.751 . . . . 7.21 111.771 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.725 -0.655 . . . . 9.6300000000000008 110.527 179.76 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.062 -0.348 . . . . 7.5 110.062 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.671 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 25.2 mtmt -109.77 -54.72 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 111.859 0.318 . . . . 4.8700000000000001 111.859 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.671 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 23.0 Cg_exo -65.51 126.51 16.31 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.821 1.681 . . . . 1.49 111.647 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.698 HG21 ' O ' ' B' ' 45' ' ' LEU . 16.1 t -77.7 142.32 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.78000000000000003 110.69 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.565 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 17.4 p -106.04 172.84 6.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.156 -0.474 . . . . 0.5 110.694 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.745 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -78.95 -10.26 59.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.803 -1.184 . . . . 0.65000000000000002 107.803 179.147 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.765 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 20.5 m-85 -78.68 -33.89 46.61 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 113.857 -1.519 . . . . 1.27 109.629 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -69.34 -39.4 78.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 1.3100000000000001 110.415 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.589 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.9 t -61.32 -42.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.379 -0.828 . . . . 0.28000000000000003 110.853 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -63.36 -46.42 86.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.37 111.68 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.97 -41.35 87.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.763 -0.653 . . . . 2.3399999999999999 112.029 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.509 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.6 t80 -77.02 -37.66 54.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 1.5800000000000001 111.461 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.691 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -71.44 -27.32 63.19 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.005 0.372 . . . . 0.64000000000000001 112.005 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.9 20.32 47.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.6 -0.809 . . . . 0.58999999999999997 112.278 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -118.2 169.84 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.748 -0.464 . . . . 0.5 109.748 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -70.96 152.4 43.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.496 -0.927 . . . . 0.64000000000000001 108.496 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.573 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.51 -20.7 63.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 1.49 110.254 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.466 ' OE1' ' N6 ' ' C' ' 16' ' ' ' DA' . 0.0 OUTLIER -76.49 -24.74 53.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.96999999999999997 110.126 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -66.14 -27.72 68.25 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.053 -0.721 . . . . 0.54000000000000004 109.053 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' B' ' 38' ' ' VAL . 2.9 t -75.22 -45.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.016 -0.993 . . . . 0.44 108.598 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.658 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 19.9 m -46.98 -36.74 8.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.901 0.48 . . . . 1.29 111.217 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 25.7 mmt180 -59.31 -60.1 4.4 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.253 -0.43 . . . . 2.6600000000000001 110.664 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.05 -34.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.675 -0.693 . . . . 0.73999999999999999 111.141 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 25.0 t -67.83 -33.68 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.89000000000000001 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -73.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.178 0.514 . . . . 1.6799999999999999 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -168.27 44.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.293 -0.867 . . . . 4.0300000000000002 109.517 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.03 -130.63 0.64 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.816 -0.809 . . . . 2.1499999999999999 108.816 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.429 ' O ' HG22 ' B' ' 30' ' ' VAL . 12.0 m 67.31 148.28 0.05 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.331 0.586 . . . . 1.98 111.806 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.72 ' HB3' ' H71' ' D' ' 5' ' ' ' DT' . 0.7 OUTLIER 55.36 35.6 25.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.726 -0.67 . . . . 1.3100000000000001 111.454 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -136.96 134.39 48.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.266 -0.642 . . . . 1.22 109.266 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 35.74 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.089 0.403 . . . . 1.4199999999999999 112.089 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 69.27 -53.66 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.72 0.808 . . . . 1.0700000000000001 111.646 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -55.89 -48.05 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.811 -0.632 . . . . 3.2999999999999998 111.022 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.56 91.52 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.398 -0.364 . . . . 0.79000000000000004 111.051 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -61.82 -49.87 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 3.21 110.512 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.82 -32.39 73.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.7 -0.682 . . . . 2.0899999999999999 110.679 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.691 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 1.0 OUTLIER -67.33 -46.52 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.675 -0.491 . . . . 1.6599999999999999 109.675 179.309 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' B' ' 42' ' ' MET . 69.1 t -66.35 -47.14 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.624 . . . . 0.42999999999999999 110.444 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.12 -46.03 75.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.877 -0.601 . . . . 1.79 111.053 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.76 78.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.405 -0.361 . . . . 0.69999999999999996 111.519 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.94 -31.56 72.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.459 -0.337 . . . . 0.46999999999999997 111.297 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 54.6 mtt -57.87 -31.49 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.52000000000000002 110.361 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.37 -34.08 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.62 110.947 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -63.14 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.358 0.599 . . . . 1.55 110.481 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -91.28 2.98 55.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.52 -0.764 . . . . 0.98999999999999999 111.209 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.2 p-10 46.65 48.9 14.23 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.15 0.976 . . . . 1.77 109.326 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.685 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -49.97 118.44 2.9 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.929 -1.487 . . . . 1.3300000000000001 113.423 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.517 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 29.0 mt -120.25 94.89 48.96 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 107.472 -1.307 . . . . 1.28 107.472 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -35.84 127.07 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.419 3.413 . . . . 0.82999999999999996 114.753 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.513 HD21 HG22 ' B' ' 5' ' ' THR . 1.9 m120 -52.76 99.54 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-N 115.51 -0.768 . . . . 1.6399999999999999 110.591 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.89 -40.5 84.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.7 0.259 . . . . 4.7599999999999998 111.7 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 64.0 m -77.07 -53.34 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.751 0.649 . . . . 0.69999999999999996 112.751 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.582 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -69.7 -39.09 77.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.62 0.97 . . . . 0.54000000000000004 113.62 -178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.897 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 29.6 mt-30 -69.96 -47.27 62.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.947 0.351 . . . . 1.49 111.947 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.29 -38.0 76.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.492 0.663 . . . . 2.52 109.629 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 1.035 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.6 tp -66.46 -70.54 0.24 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.668 -1.151 . . . . 0.57999999999999996 110.569 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.801 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -50.93 -48.61 60.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.02 113.341 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.25 67.47 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 119.805 -1.188 . . . . 2.1299999999999999 113.196 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.897 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 20.1 pttp -73.46 -10.82 60.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.147 0.499 . . . . 5.0700000000000003 110.697 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -75.72 -7.96 55.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.687 -0.688 . . . . 7.3399999999999999 110.935 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.3 m -77.59 97.62 5.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 6.96 110.617 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.435 -0.793 . . . . 7.96 110.456 -179.601 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.42 ' C6 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C1'-C2' 107.147 0.951 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 ' C6 ' ' C6 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 C4'-C3'-C2' 102.304 -0.896 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.441 " C2'" ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C1'-C2' 107.184 0.986 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.748 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 N19-C1'-C2' 115.712 0.945 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.587 " H1'" " O5'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.977 0 C2'-C3'-O3' 115.903 1.964 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.587 " O5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 P-O3'-C3' 121.052 1.127 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.503 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.445 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.015 0.832 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.445 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.639 1.049 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.421 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.179 0.981 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.48 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C5'-C4'-C3' 115.985 0.857 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.668 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.209 0 C2'-C3'-O3' 115.62 1.859 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.801 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-N19 109.321 1.901 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.745 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.341 0 C5'-C4'-C3' 118.465 2.51 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.658 ' OP2' ' HB3' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 P-O3'-C3' 121.305 1.337 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.476 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-N19 108.674 1.093 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.068 0.88 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.44 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C4'-C3'-C2' 102.31 -0.89 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.488 " C2'" ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.324 -0.876 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.488 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 102.388 -0.812 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.451 ' H71' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 N19-C1'-C2' 115.885 1.053 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.522 0 O4'-C1'-C2' 106.956 0.779 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 102.28 -0.92 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.508 " H2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 O4'-C1'-C2' 107.134 0.94 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.508 ' H71' " H2'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 N19-C1'-C2' 116.495 1.434 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.72 ' H71' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 116.27 1.294 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.621 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.692 1.115 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.621 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.437 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.013 0.83 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C2'-C3'-O3' 113.999 1.259 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.502 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 P-O3'-C3' 120.665 0.804 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.773 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.801 0 C4'-C3'-O3' 113.391 1.405 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 1.035 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 N19-C1'-C2' 116.587 1.492 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.6 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-N19 109.887 2.609 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.447 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C4'-C3'-C2' 102.222 -0.978 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.447 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 102.235 -0.965 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.456 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.208 -0.992 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C4'-C3'-C2' 102.329 -0.871 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.507 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.03 0.846 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.507 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.1 0.909 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.439 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 102.369 -0.831 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 115.593 0.87 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ttt . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 121.026 0.441 . . . . 6.4100000000000001 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 53.66 71.74 1.31 Allowed Pre-proline 0 N--CA 1.465 0.303 0 CA-C-N 115.646 -0.706 . . . . 4.7300000000000004 111.038 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -55.83 121.21 9.57 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.95 2.434 . . . . 1.3 113.038 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 88.0 t -74.72 144.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.442 -0.799 . . . . 0.54000000000000004 109.222 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.74 165.91 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.735 0.302 . . . . 0.40999999999999998 110.641 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -63.66 -18.08 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.991 -0.55 . . . . 0.28999999999999998 110.987 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.99 -34.78 62.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.526 . . . . 0.48999999999999999 109.578 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -69.91 -38.79 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 1.75 109.553 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.03 -46.77 78.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.22 110.053 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.93 87.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.744 -0.662 . . . . 0.29999999999999999 110.727 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.23 -38.67 82.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.807 -0.633 . . . . 2.21 111.111 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.428 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 26.8 t80 -73.86 -35.62 64.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 1.49 111.261 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.74 -18.46 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.46000000000000002 111.549 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.14 27.7 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.069 -0.812 . . . . 0.52000000000000002 111.069 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -124.63 -166.52 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.098 -0.551 . . . . 0.35999999999999999 109.932 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.513 ' HB2' ' C7 ' ' C' ' 7' ' ' ' DT' . 54.6 p -106.1 154.48 20.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.582 -0.525 . . . . 1.26 109.582 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.6 p90 -60.41 -28.82 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.306 0.574 . . . . 1.3200000000000001 110.08 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' NE ' ' A' ' 22' ' ' ARG . 55.7 tp60 -68.09 -36.2 79.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.519 -0.764 . . . . 1.0900000000000001 109.347 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.4 m -67.1 -43.46 82.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.892 -0.595 . . . . 0.48999999999999999 109.622 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.9 t -57.57 -51.15 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.25 110.853 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 m -61.29 -29.7 70.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.823 0.344 . . . . 0.87 111.422 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 68.3 mtt180 -70.72 -23.9 62.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 2.0299999999999998 110.882 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 35' ' ' ARG . 66.0 t -90.63 -46.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.188 0.518 . . . . 0.44 110.497 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' VAL . 56.4 t -60.84 -49.82 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.138 -0.937 . . . . 0.40999999999999998 111.925 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -96.93 0.13 48.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.574 0.583 . . . . 1.72 112.574 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 57.79 76.13 0.34 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.229 0.538 . . . . 4.8799999999999999 110.548 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -113.41 25.04 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 2.27 111.317 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.3 t 59.26 -166.09 0.18 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.744 -0.662 . . . . 1.52 111.091 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.845 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.6 m170 61.01 27.75 17.6 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.129 0.418 . . . . 0.76000000000000001 112.129 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 23' ' ' VAL . 3.2 t -132.98 140.55 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 1.1599999999999999 110.586 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -100.73 169.09 9.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.3 109.689 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -62.67 -36.78 84.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.852 0.358 . . . . 1.0600000000000001 111.09 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 40.3 mttt -56.57 -50.03 73.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 3.3900000000000001 111.706 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -78.6 -32.53 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.65000000000000002 112.382 -178.465 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.661 ' HG3' HG13 ' A' ' 23' ' ' VAL . 43.7 ttp180 -63.78 -45.98 87.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 3.3100000000000001 111.167 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 89.4 mt-10 -67.42 -26.01 66.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.745 0.646 . . . . 1.45 112.745 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.5 ptpt -85.08 -29.39 24.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.479 -0.488 . . . . 0.97999999999999998 110.379 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 34' ' ' THR . 53.7 t -72.85 -45.09 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.75 -0.463 . . . . 0.35999999999999999 109.75 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 42.4 mt-10 -68.07 -23.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 1.5900000000000001 109.834 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.77 -43.19 22.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.52000000000000002 110.195 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -67.78 -38.12 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.37 111.141 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.74 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.3 ptp -72.42 -11.1 60.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.933 0.397 . . . . 0.39000000000000001 110.808 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.68 -26.56 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.53000000000000003 109.937 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.0 mm-40 -71.27 -63.38 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.74 0.781 . . . . 1.3600000000000001 110.66 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -74.8 -10.88 59.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.523 -1.217 . . . . 1.8799999999999999 111.772 -178.243 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 67.0 65.92 0.43 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.605 0.717 . . . . 2.0099999999999998 109.652 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.7 t80 -73.49 134.31 43.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.83 -1.077 . . . . 1.1599999999999999 111.532 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -115.63 104.95 52.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.642 . . . . 1.1599999999999999 110.188 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -58.23 130.98 40.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.759 2.306 . . . . 0.55000000000000004 111.498 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 46.2 m-80 -92.32 113.83 26.21 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.296 0.48 . . . . 0.54000000000000004 112.296 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -21.58 52.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.648 -0.705 . . . . 5.04 109.57 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -56.63 4.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -58.18 -28.62 64.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.45000000000000001 110.213 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' HB2' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -65.64 -38.73 90.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 1.21 109.665 178.405 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 92.1 mt-30 -72.16 -33.34 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 2.0099999999999998 110.837 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.7 tp -77.22 -49.86 14.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 111.125 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.48999999999999999 111.948 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.67 6.33 80.87 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.505 -0.855 . . . . 1.1399999999999999 112.66 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 3.0 tppp? -92.44 82.22 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.154 0.502 . . . . 6.3499999999999996 111.086 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -93.38 30.57 1.68 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.099 -0.501 . . . . 6.5 110.236 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -95.88 102.94 14.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.617 -0.719 . . . . 7.21 109.895 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 62' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.41 -0.805 . . . . 9.6300000000000008 110.28 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.568 ' HG3' ' HG2' ' B' ' 2' ' ' LYS . 24.8 ptt? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.447 0.165 . . . . 7.5 111.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.568 ' HG2' ' HG3' ' B' ' 1' ' ' MET . 13.2 pttp -160.36 114.07 1.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.13 0.491 . . . . 4.8700000000000001 110.778 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -72.52 151.28 52.86 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.611 2.207 . . . . 1.49 111.357 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.843 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 86.9 t -102.03 137.07 31.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.702 -0.481 . . . . 0.78000000000000003 109.702 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 7.0 p -90.77 163.07 14.6 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.257 -0.429 . . . . 0.5 110.628 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.729 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -76.99 -7.02 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.588 -1.264 . . . . 0.65000000000000002 107.588 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.754 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 27.1 m-85 -80.18 -42.03 24.15 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.864 -1.516 . . . . 1.27 109.263 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.17 -36.86 85.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.448 -0.797 . . . . 1.3100000000000001 109.96 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.533 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.1 t -61.45 -43.15 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.26 -0.882 . . . . 0.28000000000000003 110.248 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.62 -42.67 86.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.419 -0.809 . . . . 0.37 111.787 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.777 -0.647 . . . . 2.3399999999999999 111.124 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' B' ' 44' ' ' GLU . 67.6 t80 -72.22 -42.88 65.21 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 1.5800000000000001 111.139 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.74 -18.92 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.64000000000000001 112.564 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.58 27.7 60.73 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.963 -0.636 . . . . 0.58999999999999997 111.982 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 35.5 m -125.25 175.47 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 122.752 0.421 . . . . 0.5 109.923 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.3 p -75.22 154.72 37.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.412 -0.958 . . . . 0.64000000000000001 108.412 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -61.54 -22.11 64.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.497 . . . . 1.49 110.743 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' B' ' 21' ' ' SER . 4.2 tt0 -81.33 -17.26 49.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.189 -0.46 . . . . 0.96999999999999997 111.024 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.88 -31.23 71.69 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.987 -1.116 . . . . 0.54000000000000004 107.987 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.483 HG13 ' CG1' ' B' ' 38' ' ' VAL . 15.7 t -73.99 -39.18 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.256 -1.338 . . . . 0.44 108.792 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 31.3 t -53.21 -33.0 50.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.205 -0.907 . . . . 1.29 111.056 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 33.6 mmt180 -63.66 -56.26 17.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 2.6600000000000001 110.604 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.75 -27.93 41.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.012 -0.54 . . . . 0.73999999999999999 111.28 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 6' ' ' LEU . 5.4 t -73.49 -33.42 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.89000000000000001 111.03 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -80.24 -78.66 0.16 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.247 0.546 . . . . 1.6799999999999999 111.75 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -162.03 50.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.439 -0.801 . . . . 4.0300000000000002 109.719 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.09 -126.58 1.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 2.1499999999999999 110.126 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.0 p 63.52 128.32 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.897 0.879 . . . . 1.98 112.576 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.557 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 58.01 33.95 23.73 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.282 -0.872 . . . . 1.3100000000000001 112.03 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.68 97.54 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 120.716 0.293 . . . . 1.22 110.265 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.45 152.88 28.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.906 -0.588 . . . . 1.4199999999999999 110.013 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.55 -48.97 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.49 0.552 . . . . 1.0700000000000001 112.49 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.598 ' HG3' ' HE2' ' B' ' 37' ' ' LYS . 4.4 tppp? -54.51 -55.12 32.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 3.2999999999999998 112.022 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.4 -41.1 85.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.279 0.474 . . . . 0.79000000000000004 112.279 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -61.25 -44.17 97.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 3.21 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -64.29 -33.59 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 2.0899999999999999 110.818 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.598 ' HE2' ' HG3' ' B' ' 33' ' ' LYS . 67.9 mttm -63.5 -45.5 90.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.253 0.549 . . . . 1.6599999999999999 109.559 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.483 ' CG1' HG13 ' B' ' 20' ' ' VAL . 66.9 t -66.08 -49.62 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.42999999999999999 111.239 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.26 -38.02 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.357 -0.383 . . . . 1.79 110.994 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.25 84.4 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.923 -0.399 . . . . 0.69999999999999996 109.923 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.49 79.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.78 -0.645 . . . . 0.46999999999999997 110.568 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 56.5 mtt -60.0 -23.56 63.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.52000000000000002 110.219 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.43 -35.1 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.62 111.174 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' B' ' 12' ' ' TYR . 23.7 mm-40 -65.42 -51.33 61.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 1.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -82.86 -14.06 54.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.723 -0.671 . . . . 0.98999999999999999 109.881 179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.49 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.5 t30 61.29 63.07 1.26 Allowed 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.573 -1.269 . . . . 1.77 107.573 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -49.36 113.34 0.79 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.099 -1.41 . . . . 1.3300000000000001 113.221 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.843 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 34.7 mt -121.44 90.53 47.84 Favored Pre-proline 0 N--CA 1.449 -0.494 0 N-CA-C 107.285 -1.376 . . . . 1.28 107.285 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -36.6 125.23 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 124.169 3.246 . . . . 0.82999999999999996 113.814 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.2 m120 -47.37 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.347 1.029 . . . . 1.6399999999999999 110.204 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.501 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 9.8 tpt180 -58.05 -24.71 59.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.763 0.316 . . . . 4.7599999999999998 111.705 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.56 -64.27 1.18 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.948 0.404 . . . . 0.69999999999999996 111.182 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.545 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -61.32 -36.56 80.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.575 0.583 . . . . 0.54000000000000004 112.575 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 1.003 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 13.5 mm-40 -74.11 -34.32 63.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.948 -0.301 . . . . 1.49 111.25 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.74 -40.17 88.22 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.771 -0.826 . . . . 2.52 108.771 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.998 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -66.44 -64.77 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.622 -1.172 . . . . 0.57999999999999996 110.524 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.691 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -59.44 -42.47 91.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.231 0.826 . . . . 1.02 113.231 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.39 77.01 0.52 Allowed Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.736 -0.745 . . . . 2.1299999999999999 112.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 1.003 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 3.7 ptmt -67.99 153.93 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.512 0.673 . . . . 5.0700000000000003 112.217 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -149.54 112.43 4.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.263 -0.88 . . . . 7.3399999999999999 109.876 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 30.9 m -122.42 162.56 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.61 -0.268 . . . . 6.96 110.808 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.515 -0.755 . . . . 7.96 110.023 179.364 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.538 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.494 0 O4'-C1'-C2' 107.142 0.948 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.443 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.733 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-O3' 108.01 -1.041 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.776 ' C6 ' ' H72' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.15 0.954 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.845 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 N19-C1'-C2' 116.242 1.276 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.504 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-N19 108.542 0.927 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.513 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C4'-C3'-C2' 102.381 -0.819 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.454 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 107.068 0.88 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-N19 108.828 1.284 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.476 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-N19 108.7 1.126 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.462 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.89 0.719 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.575 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.447 1.239 0 C2'-C3'-O3' 115.174 1.694 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.754 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 110.338 3.173 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.729 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.432 0 C5'-C4'-C3' 118.365 2.443 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 107.062 0.875 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.471 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 107.27 1.064 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.471 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.008 0.826 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C5'-C4'-C3' 116.012 0.875 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.47 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C4'-C3'-C2' 102.313 -0.887 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.47 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C4'-C3'-C2' 102.415 -0.785 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.444 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C4'-C3'-C2' 102.409 -0.791 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 115.786 0.991 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.294 -0.906 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.378 -0.822 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.211 1.01 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.557 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 N19-C1'-C2' 116.179 1.237 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.464 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.631 0 N19-C1'-C2' 116.621 1.513 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.537 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C4'-C3'-C2' 102.355 -0.845 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.537 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 106.975 0.795 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C4'-C3'-C2' 102.353 -0.847 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C5'-C4'-C3' 115.972 0.848 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.454 " H1'" " H5'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.085 0.895 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O4'-C1'-C2' 107.142 0.947 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.802 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-O3' 113.494 1.452 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.998 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 109.12 1.65 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.635 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 110.024 2.78 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.483 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.035 0 O4'-C1'-N19 108.538 0.922 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.294 -0.906 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.967 0.788 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.402 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.271 -0.929 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.545 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 102.383 -0.817 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.545 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.097 0.907 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.42 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.429 -0.771 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.968 0.789 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.723 0.297 . . . . 6.4100000000000001 110.525 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -76.0 149.52 82.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 4.7300000000000004 110.112 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.77 111.11 1.43 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.443 2.095 . . . . 1.3 112.377 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' A' ' 45' ' ' LEU . 79.7 t -94.83 136.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.72 . . . . 0.54000000000000004 109.415 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 170.23 8.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.185 -0.461 . . . . 0.40999999999999998 111.341 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -66.82 -16.6 64.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.28999999999999998 110.555 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -74.55 -39.68 62.15 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.864 -0.607 . . . . 0.48999999999999999 109.603 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.05 -38.08 85.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.392 -0.822 . . . . 1.75 110.201 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.51 ' HA ' HD11 ' A' ' 45' ' ' LEU . 40.6 t -68.14 -40.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.743 -0.662 . . . . 0.22 109.744 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.85 81.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.521 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.72 -29.0 63.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 2.21 111.097 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.0 t80 -76.58 -39.32 52.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 1.49 110.701 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.11 30.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.942 0.401 . . . . 0.46000000000000002 111.491 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.58 11.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.681 -0.968 . . . . 0.52000000000000002 110.681 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 34' ' ' THR . 26.8 m -132.37 -166.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.264 -0.468 . . . . 0.35999999999999999 110.031 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 41.8 p -100.55 158.61 15.79 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.1 -0.704 . . . . 1.26 109.1 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.895 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 38.0 p90 -66.05 -27.76 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.594 -0.521 . . . . 1.3200000000000001 109.594 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.44 -35.34 79.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.877 -0.786 . . . . 1.0900000000000001 108.877 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.2 m -65.81 -44.24 86.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.139 -0.689 . . . . 0.48999999999999999 109.139 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.1 t -58.64 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.082 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -62.68 -31.82 72.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.803 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 30' ' ' VAL . 6.6 tpp180 -64.02 -36.15 83.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.584 . . . . 2.0299999999999998 110.021 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 54.8 t -80.34 -46.45 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.197 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.6 t -58.86 -41.29 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.40999999999999998 111.744 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -78.95 -20.36 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.326 0.491 . . . . 1.72 112.326 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 61.59 42.89 10.57 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.319 0.581 . . . . 4.8799999999999999 110.269 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.9 -144.19 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 2.27 111.497 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.26 174.12 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.397 -0.365 . . . . 1.52 110.237 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CG ' ' H73' ' C' ' 4' ' ' ' DT' . 0.2 OUTLIER 61.21 36.46 17.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.425 0.69 . . . . 0.76000000000000001 111.745 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -118.58 110.97 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.53 -0.468 . . . . 1.1599999999999999 110.944 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 87.2 p -82.35 159.83 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 1.3 110.212 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.27 66.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 1.0600000000000001 111.373 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 20.6 mmtp -62.91 -56.16 19.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 3.3900000000000001 111.293 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.809 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -73.91 -29.73 62.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.95 -0.568 . . . . 0.65000000000000002 112.056 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.0 ttt180 -58.47 -36.74 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.157 0.503 . . . . 3.3100000000000001 111.079 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.65 -35.51 22.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.597 . . . . 1.45 112.493 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.809 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.7 ptpt -75.43 -32.01 60.55 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.871 -0.332 . . . . 0.97999999999999998 111.675 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.1 t -74.11 -44.55 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.35999999999999999 110.338 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 1.3 mt-10 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 1.5900000000000001 110.441 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.99 -32.27 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.521 . . . . 0.52000000000000002 110.757 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -75.91 -42.73 48.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.953 -0.567 . . . . 0.37 111.027 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.629 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -65.51 -12.82 56.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.39000000000000001 111.673 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.36 23.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.419 . . . . 0.53000000000000003 110.677 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.51 -58.76 2.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.867 -0.606 . . . . 1.3600000000000001 111.694 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -80.8 -2.38 46.94 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.853 -0.612 . . . . 1.8799999999999999 112.604 -178.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 66.02 69.48 0.44 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.214 0.531 . . . . 2.0099999999999998 111.098 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.1 t80 -65.92 133.76 51.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.229 -0.896 . . . . 1.1599999999999999 111.015 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.464 HG12 ' H ' ' A' ' 4' ' ' VAL . 23.6 mm -108.72 100.42 38.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 1.1599999999999999 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.24 130.55 22.88 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.558 2.172 . . . . 0.55000000000000004 110.414 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -106.91 113.72 27.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.37 . . . . 0.54000000000000004 111.997 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 7.6 ppt_? -78.17 -22.72 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 5.04 109.823 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 1.1 m -69.82 -43.23 72.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.463 -0.569 . . . . 0.82999999999999996 109.463 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.41 -30.06 67.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.02 -0.991 . . . . 0.45000000000000001 109.602 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -68.02 -42.46 80.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 1.21 109.741 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.7 mt-30 -65.94 -32.66 74.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 2.0099999999999998 109.94 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.6 tp -75.33 -52.91 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.51000000000000001 110.718 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.59 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.48999999999999999 111.278 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.64 6.48 83.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.095 -0.574 . . . . 1.1399999999999999 111.808 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HD2' " H4'" ' C' ' 11' ' ' ' DC' . 10.7 ptmt 34.22 -104.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.916 1.286 . . . . 6.3499999999999996 113.398 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -110.45 158.88 18.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 6.5 111.102 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m 66.67 -95.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.554 -0.748 . . . . 7.21 111.321 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.011 -0.995 . . . . 9.6300000000000008 109.68 -179.73 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.372 -0.233 . . . . 7.5 110.372 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.77 76.6 0.43 Allowed Pre-proline 0 C--O 1.233 0.199 0 O-C-N 123.704 0.628 . . . . 4.8700000000000001 111.349 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.85 65.14 4.03 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.715 2.277 . . . . 1.49 111.205 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.5 t -66.12 134.28 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.26 -0.882 . . . . 0.78000000000000003 111.39 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.626 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 32.1 p -100.49 -176.66 3.27 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.643 -0.708 . . . . 0.5 110.46 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.706 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -81.1 -9.01 59.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.801 -1.185 . . . . 0.65000000000000002 107.801 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.738 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.9 m-85 -81.32 -35.3 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 113.8 -1.546 . . . . 1.27 109.933 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.66 ' HB2' HG13 ' B' ' 4' ' ' VAL . 14.5 m-20 -70.9 -39.68 72.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 111.103 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.559 ' HA ' HD23 ' B' ' 45' ' ' LEU . 44.6 t -57.91 -38.37 65.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.369 0.604 . . . . 0.28000000000000003 110.365 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -44.51 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.214 -0.903 . . . . 0.37 111.223 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -56.9 -47.29 80.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.84 . . . . 2.3399999999999999 111.818 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.689 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.1 t80 -69.86 -42.12 73.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 1.5800000000000001 111.764 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.2 -21.04 63.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.379 -0.373 . . . . 0.64000000000000001 111.247 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.59 22.9 52.47 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.822 -0.704 . . . . 0.58999999999999997 112.224 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.02 174.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.579 -0.526 . . . . 0.5 109.579 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.6 p -78.43 153.43 31.49 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.691 -0.855 . . . . 0.64000000000000001 108.691 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -58.66 -28.53 65.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.195 0.521 . . . . 1.49 109.758 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' H71' ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -65.84 -30.03 70.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.96999999999999997 110.429 179.405 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' B' ' 23' ' ' VAL . 18.7 m -61.9 -40.08 94.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.04 -0.726 . . . . 0.54000000000000004 109.04 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.9 t -69.46 -45.66 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.317 -0.856 . . . . 0.44 109.115 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.619 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 33.2 m -54.56 -33.87 60.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.137 0.494 . . . . 1.29 110.788 177.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 4.8 mtt85 -79.76 -42.57 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 111.238 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 19' ' ' THR . 60.5 t -58.3 -33.43 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.73999999999999999 110.517 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 20' ' ' VAL . 43.1 t -85.42 -32.35 7.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.89000000000000001 112.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.457 ' OD1' ' HE2' ' B' ' 59' ' ' LYS . 33.3 m-80 -122.51 -68.73 0.87 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.457 0.91 . . . . 1.6799999999999999 113.457 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -83.5 78.7 9.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.395 . . . . 4.0300000000000002 111.376 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.27 -23.76 38.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 2.1499999999999999 112.138 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 m -69.68 154.03 42.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.565 -0.288 . . . . 1.98 110.255 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.608 ' CG ' ' H73' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.37 33.57 20.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.921 0.488 . . . . 1.3100000000000001 110.514 -178.098 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.403 HG11 HG22 ' B' ' 23' ' ' VAL . 47.0 t -135.7 111.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.963 0.411 . . . . 1.22 110.719 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.81 152.68 44.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.674 -0.694 . . . . 1.4199999999999999 110.582 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.42 73.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.495 -0.32 . . . . 1.0700000000000001 111.559 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.17 -54.0 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.533 -0.303 . . . . 3.2999999999999998 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -67.62 -34.83 77.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.61 0.243 . . . . 0.79000000000000004 111.445 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.3 ttp180 -63.02 -51.53 66.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.065 0.459 . . . . 3.21 110.287 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -68.41 -32.37 72.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.587 -0.733 . . . . 2.0899999999999999 111.317 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' B' ' 37' ' ' LYS . 23.4 ttmm -64.55 -43.12 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.6599999999999999 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' B' ' 20' ' ' VAL . 46.1 t -66.46 -47.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.42999999999999999 110.649 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.89 -34.58 76.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 1.79 111.089 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.8 60.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.96 0.409 . . . . 0.69999999999999996 110.548 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.83 70.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.946 -0.57 . . . . 0.46999999999999997 111.119 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 68.7 mtt -59.06 -28.33 66.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.52000000000000002 110.366 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.74 -14.85 36.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.62 111.673 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.8 -47.22 8.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.03 0.443 . . . . 1.55 110.495 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -79.12 -24.51 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.626 . . . . 0.98999999999999999 111.029 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 42.5 t30 76.78 57.32 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 106.812 -1.551 . . . . 1.77 106.812 -176.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -56.62 114.83 2.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.097 -1.411 . . . . 1.3300000000000001 112.548 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -113.01 94.17 28.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 107.742 -1.207 . . . . 1.28 107.742 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -33.52 118.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.205 3.27 . . . . 0.82999999999999996 114.341 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.46 ' ND2' H5'' ' C' ' 13' ' ' ' DG' . 17.1 t-20 -73.68 64.76 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.574 -0.739 . . . . 1.6399999999999999 109.374 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.452 HH11 ' HD3' ' B' ' 51' ' ' ARG . 13.5 mtm180 -50.7 -33.01 21.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.811 -1.086 . . . . 4.7599999999999998 112.979 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 86.3 m -58.37 -53.73 54.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.957 0.408 . . . . 0.69999999999999996 110.86 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.51 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -81.8 -25.19 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.869 -0.605 . . . . 0.54000000000000004 111.318 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.544 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 80.3 mt-30 -71.47 -54.52 10.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.488 -0.324 . . . . 1.49 111.419 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.53 -35.51 70.39 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.983 -0.747 . . . . 2.52 108.983 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.97 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.7 tp -64.22 -69.64 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.319 -1.309 . . . . 0.57999999999999996 111.002 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.811 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -48.39 -44.55 34.89 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 124.37 1.044 . . . . 1.02 113.339 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.18 27.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 119.469 -1.348 . . . . 2.1299999999999999 113.801 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.544 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 25.5 tptp -103.16 110.41 22.35 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.358 -0.608 . . . . 5.0700000000000003 109.358 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.99 138.06 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.699 -0.682 . . . . 7.3399999999999999 111.078 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.61 -27.24 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.709 -0.678 . . . . 6.96 110.124 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.649 -0.691 . . . . 7.96 109.525 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 O4'-C1'-C2' 107.005 0.823 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.48 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 102.294 -0.906 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.736 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.53 0.667 0 O4'-C1'-C2' 107.176 0.979 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.736 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 N19-C1'-C2' 115.986 1.117 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.494 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 N19-C1'-C2' 115.865 1.041 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.459 ' C8 ' ' H72' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C4'-C3'-C2' 102.408 -0.792 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.459 ' H72' ' C8 ' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.287 -0.913 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C4'-C3'-C2' 102.252 -0.948 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.42 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.02 0.836 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.434 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.594 " H4'" ' HD2' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.445 -0.755 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.621 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.113 0 C2'-C3'-O3' 115.786 1.921 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.811 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C1'-N19 109.346 1.933 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.706 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.189 0 C5'-C4'-C3' 118.35 2.433 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.619 ' OP2' ' HB3' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.432 -0.512 0 P-O3'-C3' 121.082 1.152 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.498 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C4'-C3'-C2' 102.191 -1.009 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.49 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 107.205 1.005 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 104.865 -0.735 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.532 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C4'-C3'-C2' 102.391 -0.809 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.532 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 102.355 -0.845 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.497 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 115.532 0.832 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.421 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 N19-C1'-C2' 115.701 0.938 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.569 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 O5'-C5'-C4' 111.417 0.869 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C4'-C3'-C2' 102.165 -1.035 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.664 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 106.982 0.802 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.664 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 N19-C1'-C2' 116.093 1.183 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.487 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 N19-C1'-C2' 116.421 1.388 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.565 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.602 1.003 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.565 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 102.279 -0.921 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.461 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.583 0 O4'-C1'-C2' 107.149 0.953 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C2'-C3'-O3' 113.642 1.127 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.028 0.844 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.814 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-O3' 112.79 1.132 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.97 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 N19-C1'-C2' 116.633 1.52 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.613 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.409 2.011 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.59 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 O4'-C1'-N19 108.582 0.977 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.463 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 102.208 -0.992 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.479 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C4'-C3'-C2' 102.231 -0.969 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.568 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-N19 108.549 0.936 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.568 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 106.948 0.771 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 mtt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.167 -0.308 . . . . 6.4100000000000001 110.167 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -118.89 126.05 27.34 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.492 -0.322 . . . . 4.7300000000000004 110.411 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -69.77 107.31 1.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.394 2.062 . . . . 1.3 111.681 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.769 HG11 ' HG ' ' A' ' 45' ' ' LEU . 39.6 t -66.98 135.01 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.518 -0.764 . . . . 0.54000000000000004 109.244 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.406 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -99.91 164.51 11.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.123 -0.49 . . . . 0.40999999999999998 111.229 -177.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.796 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -64.14 -16.74 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.622 -0.717 . . . . 0.28999999999999998 110.761 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.06 -33.59 59.58 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.212 -0.662 . . . . 0.48999999999999999 109.212 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.46 -39.92 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.753 . . . . 1.75 109.625 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.29 -40.1 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 0.22 109.707 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.72 84.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.451 -0.795 . . . . 0.29999999999999999 110.2 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -73.78 -28.61 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.436 -0.802 . . . . 2.21 110.493 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.553 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.2 t80 -79.6 -38.23 34.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.797 -0.638 . . . . 1.49 111.297 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.58 -14.84 36.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.479 -0.328 . . . . 0.46000000000000002 111.437 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.09 39.92 22.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.52000000000000002 111.252 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.9 m -134.23 -170.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.705 -0.479 . . . . 0.35999999999999999 109.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -97.59 156.54 16.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.0 p90 -58.27 -35.7 72.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.484 -0.325 . . . . 1.3200000000000001 110.81 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 14.3 tp60 -64.63 -33.56 76.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.384 -0.599 . . . . 1.0900000000000001 109.384 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 m -68.0 -43.29 79.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.683 -0.689 . . . . 0.48999999999999999 109.35 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.0 t -60.03 -53.87 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.171 -0.922 . . . . 0.25 110.048 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -61.51 -30.35 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.87 110.44 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.016 ' HG3' HG22 ' A' ' 30' ' ' VAL . 11.0 tpp180 -62.54 -38.06 88.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.103 -0.703 . . . . 2.0299999999999998 109.103 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG13 ' HG3' ' A' ' 35' ' ' ARG . 71.1 t -80.76 -40.75 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 91.1 t -59.26 -43.02 88.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.171 -0.468 . . . . 0.40999999999999998 111.047 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -73.49 -27.88 61.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.418 -0.356 . . . . 1.72 111.211 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 60.28 41.71 16.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.481 0.657 . . . . 4.8799999999999999 109.712 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.79 -144.49 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.161 -0.927 . . . . 2.27 111.224 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.4 m -83.94 171.86 12.62 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.677 0.275 . . . . 1.52 111.547 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.569 ' CG ' ' H73' ' C' ' 4' ' ' ' DT' . 0.2 OUTLIER 62.38 33.06 16.61 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.585 0.754 . . . . 0.76000000000000001 112.39 -179.025 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.016 HG22 ' HG3' ' A' ' 22' ' ' ARG . 2.1 t -120.3 117.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.351 -0.54 . . . . 1.1599999999999999 111.42 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.579 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 55.0 p -87.84 150.75 23.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.072 -0.714 . . . . 1.3 109.072 178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.02 68.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.724 0.297 . . . . 1.0600000000000001 110.992 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.92 -52.39 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 3.3900000000000001 111.554 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.716 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.4 p -78.56 -29.34 46.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.65000000000000002 111.395 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.1 ttt-85 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.129 0.49 . . . . 3.3100000000000001 110.815 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.64 -22.05 51.29 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.216 0.821 . . . . 1.45 113.216 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.716 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 13.4 ptpt -91.69 -27.18 18.25 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.284 -0.566 . . . . 0.97999999999999998 110.899 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.5 t -77.63 -45.26 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.848 0.356 . . . . 0.35999999999999999 110.498 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 34.5 mt-10 -66.77 -25.1 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 1.5900000000000001 110.397 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.5 -30.7 33.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.447 . . . . 0.52000000000000002 110.612 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.562 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -77.11 -42.88 36.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.37 111.043 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.5 ptp -66.37 -11.8 53.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.059 -0.519 . . . . 0.39000000000000001 111.496 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.06 -15.73 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.424 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -85.51 -61.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.47 -0.786 . . . . 1.3600000000000001 111.337 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -77.8 3.57 13.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 1.8799999999999999 112.457 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 60.93 62.51 1.43 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.301 0.572 . . . . 2.0099999999999998 110.857 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.9 t80 -63.12 135.53 57.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.139 -0.937 . . . . 1.1599999999999999 111.143 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.64 105.92 56.72 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.651 -0.704 . . . . 1.1599999999999999 110.576 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.56 95.55 0.28 Allowed 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.463 2.109 . . . . 0.55000000000000004 110.34 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.76 107.97 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.54000000000000004 112.221 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -23.4 53.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.564 -0.744 . . . . 5.04 110.376 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.723 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -76.13 -39.04 56.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.575 . . . . 0.82999999999999996 110.208 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -67.64 -31.75 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.868 -0.605 . . . . 0.45000000000000001 109.38 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.74 -38.39 86.54 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.13 -0.941 . . . . 1.21 110.05 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 15.3 mm100 -67.25 -26.49 66.6 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.81 -0.632 . . . . 2.0099999999999998 110.696 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.647 HD21 ' N3 ' ' C' ' 12' ' ' ' DG' . 11.4 tp -86.51 -51.49 6.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.51000000000000001 111.016 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.0 71.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.407 0.623 . . . . 0.48999999999999999 110.712 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.22 26.55 22.32 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.659 -0.701 . . . . 1.1399999999999999 111.53 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 14.7 tptm -110.8 20.59 17.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.216 0.532 . . . . 6.3499999999999996 110.673 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.473 ' HG2' " C4'" ' C' ' 11' ' ' ' DC' . 76.1 mt-30 -76.95 98.5 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 6.5 110.227 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -132.94 148.35 52.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 7.21 110.857 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.117 -0.944 . . . . 9.6300000000000008 110.842 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.943 0.401 . . . . 7.5 110.295 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.486 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 17.7 ptpt -153.61 140.61 13.11 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 4.8700000000000001 109.972 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 3.5 Cg_exo -76.43 77.9 3.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.808 2.339 . . . . 1.49 111.138 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 56.3 t -57.03 141.04 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.496 -0.775 . . . . 0.78000000000000003 110.531 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.403 HG22 ' ND2' ' B' ' 50' ' ' ASN . 15.9 p -97.04 166.03 11.79 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.688 -0.687 . . . . 0.5 110.782 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.696 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -77.98 -7.72 57.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.865 -1.161 . . . . 0.65000000000000002 107.865 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.671 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 15.7 m-85 -81.54 -39.51 24.55 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.972 -1.467 . . . . 1.27 110.056 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.04 -37.81 88.79 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.774 -0.648 . . . . 1.3100000000000001 110.078 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.569 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.6 t -61.76 -42.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.441 -0.8 . . . . 0.28000000000000003 110.559 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.561 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.12 -49.85 66.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 0.37 112.135 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 11.3 mm-40 -57.27 -43.28 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 2.3399999999999999 111.691 -178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.437 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.8 t80 -69.16 -42.07 76.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.5800000000000001 111.45 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -70.29 -25.09 63.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.488 -0.323 . . . . 0.64000000000000001 111.849 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.95 12.04 59.52 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.027 -0.606 . . . . 0.58999999999999997 112.171 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.11 170.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.553 0.216 . . . . 0.5 110.425 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.2 p -73.25 153.26 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.64000000000000001 108.81 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.79 -25.91 67.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.118 0.485 . . . . 1.49 110.513 -179.633 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.456 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 11.0 mt-30 -73.82 -21.26 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.96999999999999997 110.52 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -65.08 -36.26 83.75 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 107.796 -1.187 . . . . 0.54000000000000004 107.796 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' CG1' ' B' ' 38' ' ' VAL . 9.6 t -72.55 -47.05 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 114.647 -1.16 . . . . 0.44 108.842 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -50.51 -41.99 54.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.836 -0.62 . . . . 1.29 111.139 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -68.9 -49.87 54.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 2.6600000000000001 111.302 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.79 -39.55 80.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.099 0.476 . . . . 0.73999999999999999 110.509 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' B' ' 61' ' ' SER . 6.5 t -64.54 -37.4 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.159 -0.928 . . . . 0.89000000000000001 111.146 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.443 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 12.1 m-80 -77.84 -79.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.94 0.4 . . . . 1.6799999999999999 111.745 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -152.79 43.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 4.0300000000000002 111.162 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 -120.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 2.1499999999999999 111.134 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m 67.68 133.62 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.655 0.597 . . . . 1.98 110.096 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.719 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 0.3 OUTLIER 67.83 -61.07 0.38 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.62 0.368 . . . . 1.3100000000000001 110.534 -177.406 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' OP2' ' D' ' 5' ' ' ' DT' . 4.2 t -54.89 113.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.42 . . . . 1.22 110.554 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 168.33 19.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.577 -0.738 . . . . 1.4199999999999999 111.117 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.11 -40.45 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.684 0.278 . . . . 1.0700000000000001 111.699 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -59.86 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 3.2999999999999998 111.179 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -28.69 55.36 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.505 -0.316 . . . . 0.79000000000000004 111.278 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.2 ttm180 -63.89 -54.96 26.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.167 -0.469 . . . . 3.21 110.566 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.34 -22.25 65.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.511 . . . . 2.0899999999999999 110.465 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.6 OUTLIER -66.69 -47.43 72.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.319 0.58 . . . . 1.6599999999999999 109.768 178.721 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' B' ' 20' ' ' VAL . 93.2 t -66.16 -46.21 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.779 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 24.7 mt-10 -61.25 -33.49 73.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.082 -0.508 . . . . 1.79 111.12 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.02 67.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.69999999999999996 110.049 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.09 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.895 -0.593 . . . . 0.46999999999999997 110.608 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.7 mtt -58.07 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.52000000000000002 110.261 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.72 21.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.987 -0.552 . . . . 0.62 111.112 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -51.9 63.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 1.55 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.5 OUTLIER -80.8 -12.32 59.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.184 -0.462 . . . . 0.98999999999999999 110.546 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.42 ' O ' HG12 ' B' ' 48' ' ' ILE . 65.4 t30 62.37 56.1 2.19 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 107.274 -1.38 . . . . 1.77 107.274 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.4 t80 -52.6 106.78 0.17 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 114.137 -1.392 . . . . 1.3300000000000001 113.307 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.697 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 mm -113.89 93.69 30.43 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 106.962 -1.495 . . . . 1.28 106.962 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.488 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.8 Cg_exo -30.4 115.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.546 3.498 . . . . 0.82999999999999996 114.667 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.403 ' ND2' HG22 ' B' ' 5' ' ' THR . 6.0 p-10 -72.12 82.13 0.98 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.637 0.732 . . . . 1.6399999999999999 110.198 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -51.36 -32.69 26.69 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.428 -1.26 . . . . 4.7599999999999998 112.859 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.723 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 96.3 m -54.59 -49.41 70.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.69999999999999996 111.938 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.518 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -90.79 -26.79 19.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.54000000000000004 111.425 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 78.2 mt-30 -71.62 -49.9 35.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.734 -0.212 . . . . 1.49 111.51 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -65.62 -31.66 72.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.327 -0.62 . . . . 2.52 109.327 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.982 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 11.3 tp -62.43 -63.96 1.07 Allowed 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 114.924 -1.035 . . . . 0.57999999999999996 109.749 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.725 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -60.05 -38.95 84.31 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.946 -1.024 . . . . 1.02 111.983 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.9 -82.72 0.24 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.373 -0.918 . . . . 2.1299999999999999 113.756 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.59 ' HD2' H5'' ' C' ' 15' ' ' ' DT' . 28.6 mttm -78.45 137.63 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.569 0.699 . . . . 5.0700000000000003 112.337 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -115.09 -9.84 12.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.271 -0.877 . . . . 7.3399999999999999 108.856 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.402 ' HA ' ' CG1' ' B' ' 24' ' ' VAL . 2.8 p -164.91 -52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.917 -1.038 . . . . 6.96 109.631 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.729 -0.653 . . . . 7.96 109.784 179.383 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C4'-C3'-C2' 102.305 -0.895 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C4'-C3'-C2' 102.298 -0.902 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.703 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.699 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.703 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 116.149 1.218 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.562 ' H73' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 N19-C1'-C2' 116.595 1.497 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.441 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.078 0.889 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.453 ' H71' ' CB ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C4'-C3'-C2' 102.262 -0.938 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.44 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.283 -0.917 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.44 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.169 0.972 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.426 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.105 0.914 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.473 " C4'" ' HG2' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 102.3 -0.9 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.687 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.445 1.091 0 C2'-C3'-O3' 115.21 1.708 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.725 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 109.21 1.762 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.696 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.539 1.293 0 O4'-C1'-N19 106.176 -2.03 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.59 H5'' ' HD2' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C5'-C4'-C3' 116.163 0.975 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.474 ' N6 ' ' C4 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.207 1.006 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C4'-C3'-C2' 102.414 -0.786 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.446 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 107.057 0.87 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.436 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.603 0 O4'-C1'-C2' 107.115 0.922 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.436 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-C2' 106.916 0.742 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.502 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 C4'-C3'-C2' 102.317 -0.883 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.502 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 N19-C1'-C2' 115.548 0.843 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.436 ' H71' " C2'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 N19-C1'-C2' 115.449 0.78 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 C4'-C3'-C2' 102.335 -0.865 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.281 -0.919 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.116 0.924 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.643 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C4'-C3' 104.552 -1.048 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.719 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 116.111 0.941 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.544 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-N19 108.669 1.086 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.544 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C5'-C4'-C3' 116.085 0.923 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 106.994 0.813 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.427 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C5'-C4'-C3' 116.156 0.971 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.427 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.463 0.829 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.091 0.901 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.787 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-O3' 113.039 1.245 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.982 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 N19-C1'-C2' 116.154 1.221 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.596 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 109.504 2.13 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.433 H2'' ' OP2' ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C4'-C3'-C2' 102.297 -0.903 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.433 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.358 -0.842 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 107.085 0.895 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.573 0 O4'-C1'-C2' 107.145 0.95 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.479 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.131 0.938 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.512 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 106.978 0.799 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.512 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.038 0.853 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.123 0.93 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.462 0.172 . . . . 6.4100000000000001 111.27 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -83.75 -58.19 0.4 Allowed Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 120.871 -0.332 . . . . 4.7300000000000004 111.627 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 3.6 Cg_exo -76.12 98.95 1.23 Allowed 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.118 1.879 . . . . 1.3 111.965 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.753 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.7 t -69.63 136.65 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.299 -0.63 . . . . 0.54000000000000004 109.299 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.466 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 0.9 OUTLIER -105.9 167.42 9.8 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.976 0.417 . . . . 0.40999999999999998 111.239 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.75 -17.6 64.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.28999999999999998 110.427 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -73.81 -39.48 64.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.495 -0.558 . . . . 0.48999999999999999 109.495 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.84 -39.72 91.05 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.6 -0.727 . . . . 1.75 110.057 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.31 -40.97 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.391 -0.822 . . . . 0.22 109.726 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.23 95.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.058 -0.974 . . . . 0.29999999999999999 110.977 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.8 -37.02 76.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 2.21 111.327 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -73.44 -36.15 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.927 0.394 . . . . 1.49 111.033 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -84.19 -25.52 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.46000000000000002 111.059 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.98 32.24 15.11 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.94 -0.864 . . . . 0.52000000000000002 110.94 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.92 -170.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.159 -0.521 . . . . 0.35999999999999999 110.337 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -97.3 155.75 16.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.952 -0.759 . . . . 1.26 108.952 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.801 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -58.51 -33.4 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.79 -0.448 . . . . 1.3200000000000001 109.79 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.0 tp60 -65.09 -38.48 90.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.787 -0.642 . . . . 1.0900000000000001 109.569 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.1 m -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.48999999999999999 109.716 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.5 t -57.14 -51.8 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.25 110.673 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 m -59.43 -32.57 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.647 -0.251 . . . . 0.87 111.314 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HG22 ' A' ' 30' ' ' VAL . 90.6 mtt-85 -66.13 -31.06 71.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 2.0299999999999998 110.476 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' THR . 43.5 t -82.94 -42.76 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.44 110.6 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 47' ' ' TYR . 49.0 t -62.89 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 0.40999999999999998 111.096 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -83.03 -11.7 57.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.439 . . . . 1.72 111.202 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.87 51.61 10.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.607 -0.724 . . . . 4.8799999999999999 110.266 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.81 -155.32 0.44 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.227 -0.897 . . . . 2.27 111.084 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -97.64 177.98 5.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.409 -0.36 . . . . 1.52 110.629 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.756 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.5 OUTLIER 66.12 29.83 9.69 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.087 0.555 . . . . 0.76000000000000001 112.151 -179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -125.52 115.67 44.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.798 -0.361 . . . . 1.1599999999999999 111.105 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 p -80.35 150.16 29.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.972 -0.558 . . . . 1.3 109.646 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -57.16 -35.15 69.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.761 0.315 . . . . 1.0600000000000001 110.796 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -53.94 -46.14 71.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.647 -0.706 . . . . 3.3900000000000001 111.212 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -83.14 -33.13 26.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.285 -0.416 . . . . 0.65000000000000002 111.224 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -57.53 -45.94 84.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.908 0.385 . . . . 3.3100000000000001 111.129 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.3 mt-10 -68.44 -34.38 75.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.668 -0.696 . . . . 1.45 112.742 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.3 ptpt -78.9 -29.56 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.398 -0.521 . . . . 0.97999999999999998 110.982 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 85.4 t -78.12 -40.41 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.268 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.68 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 1.5900000000000001 110.067 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -83.08 -38.79 22.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.411 -0.813 . . . . 0.52000000000000002 110.821 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.43 89.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.37 111.837 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.674 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.0 ptp -69.81 -11.36 60.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.333 -0.394 . . . . 0.39000000000000001 110.867 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.88 -22.01 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.13 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 9.0 mm-40 -82.24 -49.98 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.311 -0.859 . . . . 1.3600000000000001 110.365 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.0 mt -80.7 -7.36 59.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.754 -1.112 . . . . 1.8799999999999999 111.56 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 m120 60.94 51.14 4.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.671 0.748 . . . . 2.0099999999999998 109.97 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.753 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.0 t80 -65.84 132.08 47.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.78 -1.1 . . . . 1.1599999999999999 111.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.57 112.44 51.3 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 1.1599999999999999 110.451 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.05 114.15 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.436 2.091 . . . . 0.55000000000000004 110.923 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 47.6 m-80 -73.86 100.77 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.379 -0.373 . . . . 0.54000000000000004 111.707 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -21.16 64.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 5.04 110.766 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.736 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -76.25 -43.53 41.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.4 -0.593 . . . . 0.82999999999999996 109.4 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -70.12 -29.7 66.71 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.45000000000000001 109.246 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.542 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 39.1 tt0 -66.06 -42.49 89.38 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.333 -0.849 . . . . 1.21 109.982 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.42 -39.53 92.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 2.0099999999999998 109.674 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 9.9 tp -67.51 -54.05 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.67 -0.696 . . . . 0.51000000000000001 110.987 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.1 -41.74 97.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.48999999999999999 111.902 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.36 2.77 69.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.948 -0.644 . . . . 1.1399999999999999 112.643 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp 56.78 40.04 29.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.436 0.636 . . . . 6.3499999999999996 110.425 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -98.56 39.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.465 -0.788 . . . . 6.5 110.18 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 114.48 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.377 -0.829 . . . . 7.21 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.2 -0.905 . . . . 9.6300000000000008 110.944 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttp . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.918 0.389 . . . . 7.5 110.123 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.716 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 28.7 mmmt -76.16 -54.75 1.94 Allowed Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 4.8700000000000001 111.68 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 5.6 Cg_exo -79.07 97.1 1.1 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.336 2.024 . . . . 1.49 112.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 45' ' ' LEU . 59.1 t -93.41 134.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.884 -0.598 . . . . 0.78000000000000003 109.679 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.586 HG22 HD22 ' B' ' 50' ' ' ASN . 25.3 p -95.86 173.16 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.258 -0.428 . . . . 0.5 109.862 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.801 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -82.47 -5.52 58.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.565 -1.272 . . . . 0.65000000000000002 107.565 179.196 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.835 ' HE1' " H2'" ' C' ' 13' ' ' ' DG' . 5.8 m-85 -80.65 -38.68 28.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.884 -1.507 . . . . 1.27 109.084 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.54 -39.93 95.7 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.447 -0.797 . . . . 1.3100000000000001 109.813 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.1 t -61.66 -40.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 0.28000000000000003 111.022 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -62.73 -55.44 26.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.832 -0.622 . . . . 0.37 111.914 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.17 -46.87 84.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.588 -0.733 . . . . 2.3399999999999999 111.731 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.544 ' HB3' HD21 ' B' ' 45' ' ' LEU . 39.4 t80 -63.57 -44.59 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.369 0.507 . . . . 1.5800000000000001 112.369 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.805 0.336 . . . . 0.64000000000000001 111.819 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.04 57.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.58999999999999997 111.952 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.425 HG21 HG22 ' B' ' 38' ' ' VAL . 33.5 m -107.24 167.05 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.766 -0.457 . . . . 0.5 109.766 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 97.0 p -69.66 152.43 44.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.024 -0.732 . . . . 0.64000000000000001 109.024 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.766 ' CE1' HD23 ' B' ' 6' ' ' LEU . 69.5 t80 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.623 0.725 . . . . 1.49 110.137 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' H72' ' D' ' 7' ' ' ' DT' . 0.9 OUTLIER -62.24 -38.77 90.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.061 -0.972 . . . . 0.96999999999999997 111.135 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' B' ' 23' ' ' VAL . 24.2 m -56.88 -33.75 67.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.81 -0.632 . . . . 0.54000000000000004 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' B' ' 10' ' ' ALA . 8.1 t -71.41 -56.98 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.44 110.424 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.549 ' OG ' ' H71' ' C' ' 15' ' ' ' DT' . 42.8 m -55.51 -28.37 54.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.838 0.351 . . . . 1.29 111.579 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' HG3' ' B' ' 26' ' ' GLN . 21.3 mtt180 -69.87 -48.8 57.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 2.6600000000000001 111.555 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.551 HG22 HG11 ' B' ' 30' ' ' VAL . 97.2 t -59.13 -31.28 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.653 0.74 . . . . 0.73999999999999999 110.044 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.47 -25.47 22.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.799 -1.091 . . . . 0.89000000000000001 111.344 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.431 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 44.4 m-80 -125.0 -83.87 0.64 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.348 0.499 . . . . 1.6799999999999999 112.348 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.428 ' HG3' ' HG2' ' B' ' 22' ' ' ARG . 2.9 pt20 -87.7 92.47 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.516 -0.765 . . . . 4.0300000000000002 110.666 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.33 62.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.051 -0.977 . . . . 2.1499999999999999 112.103 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 7.0 m -61.59 164.69 5.67 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.749 -0.463 . . . . 1.98 109.749 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.682 ' CG ' ' H73' ' D' ' 4' ' ' ' DT' . 0.2 OUTLIER 69.63 -58.52 0.52 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 122.856 0.462 . . . . 1.3100000000000001 110.382 -177.646 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.551 HG11 HG22 ' B' ' 23' ' ' VAL . 39.0 t -57.58 102.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.373 0.606 . . . . 1.22 111.588 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -66.19 157.9 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 1.4199999999999999 110.395 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.28 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.191 0.441 . . . . 1.0700000000000001 112.191 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -56.71 -45.57 81.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 3.2999999999999998 111.592 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.419 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -84.93 -30.44 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.288 -0.414 . . . . 0.79000000000000004 111.49 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.458 ' HB2' HG12 ' B' ' 30' ' ' VAL . 73.1 ttt180 -63.77 -52.23 61.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 3.21 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -64.67 -29.86 70.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 2.0899999999999999 110.779 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 7.5 tppt? -61.45 -43.56 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 1.6599999999999999 110.105 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' B' ' 20' ' ' VAL . 59.4 t -69.76 -48.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.53 -0.759 . . . . 0.42999999999999999 110.6 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.28 -40.64 82.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.017 -0.538 . . . . 1.79 111.193 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -67.15 -38.06 84.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.386 -0.37 . . . . 0.69999999999999996 110.613 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -31.87 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.018 -0.537 . . . . 0.46999999999999997 110.535 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -61.39 -23.73 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.259 0.552 . . . . 0.52000000000000002 110.159 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.46 -29.98 14.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.825 -0.625 . . . . 0.62 110.395 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 21.9 mm-40 -67.13 -56.77 8.59 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.099 -0.501 . . . . 1.55 110.661 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.7 OUTLIER -74.88 -16.68 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.98999999999999999 110.824 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 67.12 54.6 0.73 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.428 -1.323 . . . . 1.77 107.428 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.526 ' OH ' ' HB2' ' B' ' 6' ' ' LEU . 2.3 t80 -50.98 115.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.91 -1.495 . . . . 1.3300000000000001 112.799 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.49 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 32.0 mm -111.45 94.96 24.48 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 107.821 -1.178 . . . . 1.28 107.821 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -29.71 128.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 124.887 3.725 . . . . 0.82999999999999996 114.946 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.586 HD22 HG22 ' B' ' 5' ' ' THR . 1.2 m120 -68.52 75.55 0.27 Allowed 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.173 -0.922 . . . . 1.6399999999999999 110.041 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -50.87 -28.0 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.757 0.651 . . . . 4.7599999999999998 112.757 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 77.2 m -74.28 -60.56 2.21 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.378 0.51 . . . . 0.69999999999999996 112.378 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.493 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -80.46 -23.22 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.255 0.835 . . . . 0.54000000000000004 113.255 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 42.4 mt-30 -75.5 -44.85 41.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.89 0.314 . . . . 1.49 111.129 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -65.91 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.499 -0.926 . . . . 2.52 108.499 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.919 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -65.97 -70.25 0.25 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.112 -1.404 . . . . 0.57999999999999996 110.527 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.754 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -57.92 -28.33 64.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.06 -0.973 . . . . 1.02 111.981 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 77.24 0.77 Allowed Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 120.845 -0.693 . . . . 2.1299999999999999 112.008 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -63.14 -30.4 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.121 0.486 . . . . 5.0700000000000003 110.347 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -99.08 57.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.5 0.667 . . . . 7.3399999999999999 109.834 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.16 52.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 6.96 110.807 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.313 -0.851 . . . . 7.96 110.56 -179.749 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O4'-C1'-C2' 107.198 0.998 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.414 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.192 -1.008 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.778 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.895 0 N19-C1'-C2' 115.716 0.948 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.778 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.756 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 N19-C1'-C2' 116.444 1.402 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.441 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 102.353 -0.847 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.422 ' H72' ' C8 ' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 C4'-C3'-C2' 102.271 -0.929 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.475 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 C4'-C3'-C2' 102.383 -0.817 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.475 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-N19 108.631 1.039 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.443 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.288 -0.912 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.713 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C2'-C3'-O3' 115.479 1.807 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.835 " H2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O4'-C1'-N19 109.712 2.39 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.801 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.543 1.554 0 O4'-C1'-N19 106.262 -1.922 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.549 ' H71' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.606 1.007 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.434 ' OP2' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C5'-C4'-C3' 115.929 0.819 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.145 -1.055 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C4'-C3' 104.85 -0.75 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.417 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-C2' 102.215 -0.985 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.952 0.774 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.451 " C2'" ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 N19-C1'-C2' 115.647 0.904 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.451 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 115.659 0.912 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 116.038 1.149 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O4'-C1'-C2' 107.018 0.835 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C4'-C3'-C2' 102.344 -0.856 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.744 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.189 0.99 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.744 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 N19-C1'-C2' 115.798 0.999 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.657 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.438 0.572 0 C4'-C3'-C2' 102.184 -1.016 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.672 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.103 -1.097 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.672 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 116.338 1.092 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.449 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.472 " C2'" ' H71' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.312 -0.888 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.472 ' H71' " C2'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C5'-C4'-C3' 116.197 0.998 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.865 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 C4'-C3'-O3' 112.988 1.222 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.919 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 N19-C1'-C2' 116.279 1.299 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.613 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.867 2.584 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.542 ' OP1' ' HG3' ' A' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C4'-C3'-C2' 102.348 -0.852 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.435 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C4'-C3'-C2' 102.252 -0.948 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.435 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.117 0.925 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.555 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.555 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.484 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.39 -0.81 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C4'-C3' 104.88 -0.72 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.837 0.351 . . . . 6.4100000000000001 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -139.99 77.63 25.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.421 . . . . 4.7300000000000004 111.057 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -85.33 88.79 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.912 2.408 . . . . 1.3 111.7 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.604 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 41.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.42 19.77 49.55 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 24.9 tptp -93.9 7.6 44.37 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.145 0.498 . . . . 6.3499999999999996 110.326 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 34.6 tt0 -50.27 124.36 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.565 -0.743 . . . . 6.5 110.752 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -79.04 65.06 4.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.293 0.568 . . . . 7.21 110.998 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.388 -0.824 . . . . 9.6300000000000008 109.889 179.757 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.41 0.148 . . . . 7.5 111.366 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 63.7 tttp -58.17 -54.43 55.78 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.761 0.282 . . . . 4.8700000000000001 111.761 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 60.6 Cg_endo -76.26 90.92 1.15 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.803 1.669 . . . . 1.49 112.117 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t -82.53 133.71 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.78000000000000003 109.781 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.473 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.744 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.483 ' CB ' ' H73' ' C' ' 15' ' ' ' DT' . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.993 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.532 ' HB3' ' NE2' ' B' ' 60' ' ' GLN . 11.3 p30 -146.95 -34.47 0.27 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.993 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 9.8 mm100 -82.57 73.95 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.046 -0.408 . . . . 4.0300000000000002 111.128 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 28' ' ' SER . . . -54.18 164.21 0.69 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.134 -0.939 . . . . 2.1499999999999999 111.686 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.694 ' O ' HG23 ' B' ' 30' ' ' VAL . 74.6 m 71.93 179.66 0.23 Allowed 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.826 -0.805 . . . . 1.98 108.826 -177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.691 ' HB3' ' C7 ' ' D' ' 4' ' ' ' DT' . 2.0 p-80 37.92 36.35 0.1 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.556 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.997 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -56.41 -14.52 3.05 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.57 -63.69 0.27 Allowed Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.848 -0.691 . . . . 2.1299999999999999 112.573 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 10.2 ttpp 64.3 92.66 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.183 0.516 . . . . 5.0700000000000003 110.092 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' B' ' 25' ' ' ASN . 4.4 pp0? -49.58 146.13 4.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.252 -0.886 . . . . 7.3399999999999999 111.913 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -128.23 31.98 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.851 -0.613 . . . . 6.96 110.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.307 -0.854 . . . . 7.96 110.65 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.437 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.247 -0.953 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.766 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.881 0 O4'-C1'-C2' 107.335 1.123 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.766 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.156 0.96 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.673 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.443 0.91 0 C2'-C3'-O3' 115.043 1.646 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . 0.556 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O3'-C3' 120.832 0.943 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . 0.556 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . 0.457 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.457 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.052 -1.148 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . 0.48 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.492 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C5'-C4'-O4' 108.044 -0.848 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.653 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.912 0 C2'-C3'-O3' 115.391 1.774 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . 0.764 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.615 2.269 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.744 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.541 1.407 0 C5'-C4'-C3' 118.033 2.222 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.483 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 116.802 1.402 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.518 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C2'-C3'-O3' 113.908 1.225 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.518 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.062 0.874 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.991 0.81 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.564 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.564 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 102.385 -0.815 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.969 0.79 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C4'-C3'-C2' 102.27 -0.93 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.44 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C1'-C2' 107.217 1.015 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.691 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 116.704 1.565 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . 0.486 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 N19-C1'-C2' 116.005 1.128 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . 0.806 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.237 1.034 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.806 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C5'-C4'-C3' 116.343 1.095 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C5'-C4'-C3' 116.05 0.9 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.75 1.188 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.747 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-O3' 113.162 1.301 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ' DG' . . . . . 0.997 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 116.778 1.611 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-N19 109.777 2.472 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . 0.506 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C4'-C3'-C2' 102.195 -1.005 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ' DC' . . . . . 0.438 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.245 -0.955 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.492 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.978 0.798 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.454 ' C4 ' ' N7 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.104 0.913 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ' DA' . . . . . 0.569 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.569 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.114 0.922 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ' DT' . . . . . 0.494 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.529 0.912 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' ' DC' . . . . . 0.434 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 106.965 0.787 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 N--CA 1.458 -0.61 0 CA-C-O 121.245 0.435 . . . . 1.3 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.782 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 58.8 t -68.82 132.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.476 -0.783 . . . . 0.54000000000000004 109.539 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 169.61 8.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.79 -0.641 . . . . 0.40999999999999998 110.122 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.959 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.85 0.357 . . . . 0.28999999999999998 111.047 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -76.77 -35.59 57.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.532 -0.544 . . . . 0.48999999999999999 109.532 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' HB2' HG13 ' A' ' 4' ' ' VAL . 14.2 m-20 -69.31 -37.58 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 1.75 109.766 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.64 -43.58 70.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.776 . . . . 0.22 109.871 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.88 75.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.285 -0.87 . . . . 0.29999999999999999 110.575 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -34.8 69.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.634 -0.712 . . . . 2.21 110.885 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 45' ' ' LEU . 23.9 t80 -77.62 -39.28 45.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 1.49 111.35 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 37' ' ' LYS . . . -84.54 -13.8 50.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.402 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.76 36.44 53.14 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.703 -0.76 . . . . 0.52000000000000002 111.329 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 13' ' ' ALA . 21.8 m -123.56 -166.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.535 . . . . 0.35999999999999999 110.111 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -100.18 155.85 17.52 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.959 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 49.7 p90 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 1.3200000000000001 109.808 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.0 tp60 -68.0 -38.31 82.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.554 -0.748 . . . . 1.0900000000000001 109.021 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 23' ' ' VAL . 90.3 m -63.37 -45.61 90.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.48999999999999999 109.49 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.7 t -58.14 -49.92 79.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.25 110.506 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -35.68 76.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 0.87 110.946 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.88 ' HB3' HG22 ' A' ' 30' ' ' VAL . 77.5 mtt-85 -68.83 -30.73 69.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.403 -0.362 . . . . 2.0299999999999998 110.378 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.5 t -76.86 -41.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.44 109.889 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.6 t -64.95 -41.7 92.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.818 -0.628 . . . . 0.40999999999999998 110.309 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -74.91 -40.88 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.517 -0.765 . . . . 1.72 111.853 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.476 HE22 ' NE ' ' A' ' 35' ' ' ARG . 23.6 mm-40 62.49 64.59 0.92 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.598 -0.519 . . . . 4.8799999999999999 109.598 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.75 -84.22 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.315 0.487 . . . . 2.27 112.315 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.3 168.02 20.73 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.283 -0.26 . . . . 1.52 110.934 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.678 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 5.3 m170 65.27 25.99 12.21 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.396 0.678 . . . . 0.76000000000000001 112.103 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.88 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -120.56 129.23 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 1.1599999999999999 111.385 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.5 p -98.56 152.87 19.11 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 1.3 108.938 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.96 71.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.947 0.403 . . . . 1.0600000000000001 110.685 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -57.4 -52.42 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.709 -0.678 . . . . 3.3900000000000001 111.248 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 p -77.21 -32.15 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.65000000000000002 112.153 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.476 ' NE ' HE22 ' A' ' 26' ' ' GLN . 16.1 ttt180 -58.33 -49.76 76.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.113 0.482 . . . . 3.3100000000000001 111.016 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -70.06 -20.81 63.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 1.45 111.664 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.65 ' HG2' ' HB1' ' A' ' 13' ' ' ALA . 23.8 ttpt -82.11 -35.33 28.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.269 0.557 . . . . 0.97999999999999998 110.202 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.6 t -75.53 -42.25 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.521 -0.763 . . . . 0.35999999999999999 110.672 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 38.1 mt-10 -64.75 -27.47 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.231 0.538 . . . . 1.5900000000000001 110.358 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.17 28.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.413 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -69.66 -39.72 76.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.233 -0.439 . . . . 0.37 111.246 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.883 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 16.7 ptp -71.25 -8.42 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.39000000000000001 110.725 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.44 -25.0 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.41 0.624 . . . . 0.53000000000000003 109.979 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -75.75 -52.36 10.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.197 -0.911 . . . . 1.3600000000000001 110.687 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -83.79 -8.49 59.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.068 -0.969 . . . . 1.8799999999999999 112.052 -178.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 63.63 64.98 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.563 0.697 . . . . 2.0099999999999998 109.689 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.883 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 14.1 t80 -77.13 133.37 39.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.944 -1.025 . . . . 1.1599999999999999 111.346 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.49 109.48 48.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.253 -0.885 . . . . 1.1599999999999999 110.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.85 123.27 12.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.788 2.325 . . . . 0.55000000000000004 111.449 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -85.63 109.63 18.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.856 0.36 . . . . 0.54000000000000004 111.005 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.35 -26.08 55.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.483 . . . . 5.04 110.418 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.6 OUTLIER -70.77 -40.5 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.332 0.587 . . . . 0.82999999999999996 109.744 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -69.26 -31.48 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.304 -0.862 . . . . 0.45000000000000001 109.497 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -67.76 -42.91 81.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.422 -0.808 . . . . 1.21 109.596 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.34 -36.6 84.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 2.0099999999999998 110.127 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD23 HD23 ' B' ' 56' ' ' LEU . 12.1 tp -72.75 -50.69 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.615 . . . . 0.51000000000000001 110.843 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -34.5 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.631 -0.713 . . . . 0.48999999999999999 111.132 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.823 0 C-N-CA 120.76 -0.734 . . . . 1.1399999999999999 111.858 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 95.4 t . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.11 -0.7 . . . . 0.78000000000000003 109.11 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 18.2 p -88.59 167.79 13.1 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.47 -0.332 . . . . 0.5 110.525 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.508 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -76.95 -8.49 57.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.3 -1.37 . . . . 0.65000000000000002 107.3 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.515 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 28.8 m-85 -78.38 -38.96 40.56 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.726 -1.579 . . . . 1.27 109.402 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.37 -41.61 96.61 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.527 -0.761 . . . . 1.3100000000000001 110.018 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.458 ' HA ' HD23 ' B' ' 45' ' ' LEU . 69.9 t -60.38 -44.92 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.121 -0.945 . . . . 0.28000000000000003 110.689 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -65.0 -46.83 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.37 111.036 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.05 -42.09 84.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.468 -0.787 . . . . 2.3399999999999999 111.623 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.491 ' CB ' HD21 ' B' ' 45' ' ' LEU . 64.1 t80 -72.22 -41.04 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.119 0.485 . . . . 1.5800000000000001 110.623 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.408 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.45 -23.63 65.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.64000000000000001 111.543 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.4 22.41 51.29 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.58999999999999997 112.014 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.432 HG11 HG22 ' B' ' 34' ' ' THR . 29.2 m -121.38 172.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.801 0.334 . . . . 0.5 110.207 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.49 152.72 41.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.781 -0.822 . . . . 0.64000000000000001 108.781 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.519 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.02 -22.49 66.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 1.49 110.767 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -74.11 -26.84 60.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.96999999999999997 109.988 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.67 -28.81 70.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.865 -0.607 . . . . 0.54000000000000004 109.39 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 t -73.86 -49.11 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.458 -0.942 . . . . 0.44 108.458 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.7 t -48.86 -37.32 19.2 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 121.173 0.511 . . . . 1.29 109.994 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' B' ' 30' ' ' VAL . 35.7 mmt180 -62.37 -61.56 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.767 . . . . 2.6600000000000001 110.494 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.686 HG22 HG11 ' B' ' 30' ' ' VAL . 61.5 t -56.62 -36.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.45 . . . . 0.73999999999999999 111.449 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.48 -33.65 45.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.859 -0.609 . . . . 0.89000000000000001 112.033 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 C--N 1.332 -0.184 0 N-CA-C 113.243 0.831 . . . . 1.6799999999999999 113.243 -178.183 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 121.072 0.463 . . . . 1.3100000000000001 110.268 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.686 HG11 HG22 ' B' ' 23' ' ' VAL . 47.4 t -126.48 105.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.762 -0.458 . . . . 1.22 109.762 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.08 154.85 41.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.567 -0.742 . . . . 1.4199999999999999 110.311 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.31 73.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.421 -0.354 . . . . 1.0700000000000001 110.44 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 14.4 tppt? -53.24 -56.66 14.73 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.179 -0.464 . . . . 3.2999999999999998 111.207 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.432 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.22 -39.32 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.345 . . . . 0.79000000000000004 111.571 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.575 ' HG3' HG13 ' B' ' 23' ' ' VAL . 29.6 ttm180 -59.28 -47.19 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 3.21 111.082 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.51 -40.46 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 2.0899999999999999 111.424 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 74.2 mttt -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.471 -0.331 . . . . 1.6599999999999999 111.199 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 34' ' ' THR . 88.2 t -65.74 -43.43 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 0.42999999999999999 110.422 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.23 -41.33 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 1.79 111.081 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.54 -36.82 76.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.69999999999999996 110.951 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.45 71.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.46999999999999997 111.207 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.2 mtt -61.22 -26.1 67.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.52000000000000002 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.44 -30.93 14.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.932 0.396 . . . . 0.62 110.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.84 -52.34 63.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.164 0.507 . . . . 1.55 110.852 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -84.35 -15.44 46.43 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.791 -0.64 . . . . 0.98999999999999999 110.964 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.475 ' O ' HG13 ' B' ' 48' ' ' ILE . 1.4 t30 67.4 58.17 0.54 Allowed 'General case' 0 N--CA 1.46 0.044 0 N-CA-C 107.48 -1.304 . . . . 1.77 107.48 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -50.82 113.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.076 -1.42 . . . . 1.3300000000000001 113.566 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.698 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 61.4 mt -123.2 94.39 47.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 114.524 -1.216 . . . . 1.28 107.875 176.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -38.67 138.81 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 124.256 3.304 . . . . 0.82999999999999996 114.976 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.498 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -62.59 97.13 0.09 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.281 -0.872 . . . . 1.6399999999999999 109.216 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 51' ' ' ARG . 52.0 mtm-85 -55.25 -32.93 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.117 0.414 . . . . 4.7599999999999998 112.117 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 35.0 m -81.74 -56.8 3.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.925 0.342 . . . . 0.69999999999999996 111.925 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.88 88.15 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.434 0.902 . . . . 0.54000000000000004 113.434 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -71.18 -46.94 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.055 -0.258 . . . . 1.49 111.362 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 15.7 tm0? -57.75 -37.06 72.95 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.681 0.753 . . . . 2.52 108.992 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 53' ' ' ALA . 10.4 tp -66.11 -66.65 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.318 -1.31 . . . . 0.57999999999999996 111.13 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 O-C-N 124.172 0.92 . . . . 1.02 113.081 -178.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.023 0.343 . . . . 1.3 112.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.974 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.3 t -85.07 137.89 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.857 -0.611 . . . . 0.54000000000000004 109.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.24 168.7 8.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.882 -0.599 . . . . 0.40999999999999998 110.32 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.829 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -63.15 -16.65 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.28999999999999998 111.233 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 73.6 m-85 -75.94 -38.7 57.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.48999999999999999 110.301 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.75 78.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.75 110.183 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.32 -41.64 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.686 -0.688 . . . . 0.22 109.59 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.24 -43.27 96.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.29999999999999999 111.073 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.6 mm-40 -66.18 -30.73 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 2.21 111.423 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 31.4 t80 -80.98 -35.11 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.692 0.282 . . . . 1.49 111.191 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.09 -11.42 52.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.46000000000000002 111.443 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 38.82 53.52 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.979 -0.848 . . . . 0.52000000000000002 110.979 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.0 m -132.61 -169.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.481 . . . . 0.35999999999999999 110.178 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -98.1 154.76 17.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.851 -0.613 . . . . 1.26 109.64 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.829 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 40.9 p90 -58.34 -32.49 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 1.3200000000000001 110.504 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.716 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -67.3 -36.31 81.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.86 -0.609 . . . . 1.0900000000000001 110.075 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -61.7 -43.77 98.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.094 -0.706 . . . . 0.48999999999999999 109.094 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.605 ' HA ' HG11 ' A' ' 38' ' ' VAL . 69.2 t -60.32 -45.98 95.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.702 -1.135 . . . . 0.25 109.957 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -58.78 -36.06 73.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.87 110.984 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 30' ' ' VAL . 33.3 mmt180 -63.09 -38.12 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.109 0.481 . . . . 2.0299999999999998 109.737 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG21 ' HB ' ' A' ' 38' ' ' VAL . 59.9 t -75.56 -42.75 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.427 -0.806 . . . . 0.44 111.049 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.8 t -64.04 -43.79 97.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.923 -0.581 . . . . 0.40999999999999998 110.392 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -31.11 64.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 1.72 111.407 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.45 35.11 14.98 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.494 0.664 . . . . 4.8799999999999999 109.907 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.15 -137.15 0.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.12 -0.945 . . . . 2.27 111.102 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 m -92.28 170.79 9.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.443 -0.344 . . . . 1.52 110.967 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 m170 64.99 32.8 10.24 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.544 0.738 . . . . 0.76000000000000001 112.016 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -123.61 116.67 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.185 0.517 . . . . 1.1599999999999999 111.84 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.7 p -90.43 152.35 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.763 -0.653 . . . . 1.3 109.337 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.86 -34.54 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 1.0600000000000001 110.55 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.94 -52.77 47.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.779 -0.646 . . . . 3.3900000000000001 111.276 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.776 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -81.88 -30.92 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.65000000000000002 111.835 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 35' ' ' ARG . 31.0 ttm180 -57.53 -38.71 75.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 3.3100000000000001 111.094 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.5 mt-10 -79.05 -28.76 43.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.677 0.621 . . . . 1.45 112.677 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.2 ptpt -82.42 -31.27 29.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.187 -0.605 . . . . 0.97999999999999998 110.823 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.9 t -75.88 -39.51 37.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.21 -0.45 . . . . 0.35999999999999999 110.329 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.49 -30.75 71.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.253 0.549 . . . . 1.5900000000000001 109.963 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.1 -41.73 27.96 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.682 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.87 92.04 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.98 0.419 . . . . 0.37 111.555 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 21.0 ptp -71.65 -8.64 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.39000000000000001 111.26 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.03 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 0.53000000000000003 109.984 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 mm-40 -72.65 -56.62 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.3600000000000001 110.805 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -80.03 -9.68 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.824 -1.08 . . . . 1.8799999999999999 112.273 -178.094 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 68.34 63.02 0.36 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.713 0.768 . . . . 2.0099999999999998 109.173 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.974 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.4 t80 -66.79 138.53 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.743 -1.117 . . . . 1.1599999999999999 111.714 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mm -112.3 105.87 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.525 -0.761 . . . . 1.1599999999999999 110.916 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 108.06 2.02 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.693 2.262 . . . . 0.55000000000000004 111.338 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.8 101.91 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 0.54000000000000004 111.433 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.3 mmt180 -71.09 -23.86 62.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 5.04 110.421 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.653 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -73.77 -39.42 64.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.82999999999999996 109.51 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.22 -32.02 71.94 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.45000000000000001 109.491 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.26 -37.41 87.12 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.155 -0.93 . . . . 1.21 110.002 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 85.4 mm-40 -67.63 -37.73 82.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.748 -0.66 . . . . 2.0099999999999998 110.536 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.37 -53.38 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.582 -0.736 . . . . 0.51000000000000001 111.21 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.18 76.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.48999999999999999 112.351 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 1.1399999999999999 113.056 -179.634 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.744 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.8 t . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.78000000000000003 109.975 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.1 p -87.68 172.3 9.8 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.362 -0.381 . . . . 0.5 110.157 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.535 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -76.21 -12.23 60.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 179.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.437 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 19.6 m-85 -76.24 -44.44 37.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.335 -1.302 . . . . 1.27 109.054 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.441 ' HB2' HG13 ' B' ' 4' ' ' VAL . 32.1 m-20 -64.14 -41.29 97.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 110.347 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 5' ' ' THR . 64.9 t -58.72 -41.23 81.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.98 -0.554 . . . . 0.28000000000000003 110.721 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.58 -52.93 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.556 -0.747 . . . . 0.37 111.728 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.6 mt-10 -60.44 -37.51 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.3399999999999999 111.233 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.454 ' CD1' HD21 ' B' ' 45' ' ' LEU . 87.4 t80 -64.08 -38.85 92.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 1.5800000000000001 110.718 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.706 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -76.96 -26.53 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.017 -0.538 . . . . 0.64000000000000001 111.234 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 -1.66 52.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.082 -0.58 . . . . 0.58999999999999997 112.221 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -95.34 178.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 122.277 0.231 . . . . 0.5 110.738 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -81.05 154.36 26.89 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.428 -0.952 . . . . 0.64000000000000001 108.428 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.62 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.05 -18.7 63.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.867 0.365 . . . . 1.49 111.01 -179.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.16 -17.37 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.96999999999999997 110.611 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -65.85 -29.87 70.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.102 -1.074 . . . . 0.54000000000000004 108.102 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.42 HG13 ' CG1' ' B' ' 38' ' ' VAL . 5.1 t -72.85 -50.75 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.891 -1.05 . . . . 0.44 108.793 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -47.12 -36.99 9.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.925 -0.58 . . . . 1.29 111.249 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -56.67 -60.69 3.18 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.505 -0.771 . . . . 2.6600000000000001 111.229 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.45 -36.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.242 -0.435 . . . . 0.73999999999999999 111.787 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.74 -38.15 77.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.888 -0.596 . . . . 0.89000000000000001 112.255 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.513 . . . . 1.6799999999999999 111.397 -179.31 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.7 m170 . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 121.222 0.534 . . . . 1.3100000000000001 109.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.27 136.52 56.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 1.22 109.089 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 41.26 0.95 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.552 -0.295 . . . . 1.4199999999999999 111.56 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 67.84 -61.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.579 0.751 . . . . 1.0700000000000001 111.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -59.17 -36.64 75.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 3.2999999999999998 110.837 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -64.64 -45.11 88.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.79000000000000004 110.334 179.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -62.63 -46.55 87.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.965 -0.562 . . . . 3.21 110.536 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.12 -38.59 91.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.62 -0.718 . . . . 2.0899999999999999 110.893 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.706 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.6 ttpt -66.55 -38.68 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 1.6599999999999999 111.287 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 34' ' ' THR . 95.2 t -70.8 -49.69 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.42999999999999999 110.632 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.24 -38.99 85.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.769 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.02 -40.13 83.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.69999999999999996 110.358 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.71 68.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.18 0.514 . . . . 0.46999999999999997 110.808 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtt -64.0 -21.72 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.452 -0.794 . . . . 0.52000000000000002 110.484 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.48 -33.17 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.62 111.213 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.4 mm-40 -62.07 -44.65 96.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.263 -0.426 . . . . 1.55 111.132 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -99.28 -9.57 23.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.98999999999999999 111.827 -179.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t30 67.36 65.73 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.789 -0.819 . . . . 1.77 108.789 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.744 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.8 t80 -56.62 119.99 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.755 -1.111 . . . . 1.3300000000000001 112.352 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 35.1 mm -124.89 96.01 41.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 107.971 -1.122 . . . . 1.28 107.971 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.01 134.75 10.86 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.244 2.63 . . . . 0.82999999999999996 113.326 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -58.17 95.73 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.726 -0.67 . . . . 1.6399999999999999 109.907 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -51.23 -32.51 24.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.002 0.741 . . . . 4.7599999999999998 113.002 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.653 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.9 m -81.63 -54.41 5.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.946 0.351 . . . . 0.69999999999999996 111.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.02 67.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.182 0.808 . . . . 0.54000000000000004 113.182 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 6.9 mm-40 -68.0 -54.47 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.417 0.155 . . . . 1.49 111.417 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -58.65 -32.0 68.68 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.083 0.468 . . . . 2.52 110.307 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 10.8 tp -67.24 -65.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.811 -1.086 . . . . 0.57999999999999996 110.46 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 124.305 1.003 . . . . 1.02 112.575 -178.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.275 . . . . 1.3 111.647 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.899 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 98.5 t -71.75 142.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 0.54000000000000004 110.168 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -106.69 165.14 11.52 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.674 -0.694 . . . . 0.40999999999999998 110.003 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.967 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.1 pt? -67.02 -12.92 61.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.774 0.321 . . . . 0.28999999999999998 110.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -77.49 -37.67 50.7 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.064 -0.517 . . . . 0.48999999999999999 109.659 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.88 -39.15 83.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.725 -0.67 . . . . 1.75 109.691 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.18 -44.12 81.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.22 110.052 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.8 92.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.482 -0.781 . . . . 0.29999999999999999 110.9 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.26 -32.22 69.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 2.21 111.124 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.66 -35.12 39.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 1.49 111.377 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.15 -11.84 48.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.963 0.411 . . . . 0.46000000000000002 111.068 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.31 31.95 53.27 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 111.398 -0.681 . . . . 0.52000000000000002 111.398 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.4 m -124.12 -166.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.373 . . . . 0.35999999999999999 110.279 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 p -104.52 155.15 19.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.327 -0.619 . . . . 1.26 109.327 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.967 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.6 p90 -61.04 -30.19 70.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.977 0.418 . . . . 1.3200000000000001 110.291 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.4 -36.76 79.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.129 -0.693 . . . . 1.0900000000000001 109.129 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.3 m -64.01 -40.9 97.37 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.148 -0.686 . . . . 0.48999999999999999 109.148 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 63.2 t -59.64 -48.77 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.219 -0.901 . . . . 0.25 109.427 177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -61.96 -35.37 78.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.914 -0.584 . . . . 0.87 110.146 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.817 ' HG3' HG22 ' A' ' 30' ' ' VAL . 9.0 tpp180 -62.9 -35.94 81.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 2.0299999999999998 110.069 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.643 HG13 ' HG3' ' A' ' 35' ' ' ARG . 99.0 t -80.79 -46.18 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.593 -0.73 . . . . 0.44 111.089 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 59.8 t -63.27 -42.51 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.998 -0.547 . . . . 0.40999999999999998 111.34 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -23.61 54.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.929 0.395 . . . . 1.72 111.065 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 59.55 46.5 12.0 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.42 -0.809 . . . . 4.8799999999999999 110.28 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.14 -141.58 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.27 111.099 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.56 176.32 6.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.846 -0.427 . . . . 1.52 109.846 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.81 33.29 21.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.39 0.515 . . . . 0.76000000000000001 112.39 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -118.45 122.99 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.506 -0.478 . . . . 1.1599999999999999 111.257 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.0 p -101.64 151.93 21.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.743 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.21 77.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.935 0.346 . . . . 1.0600000000000001 111.935 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -53.83 -49.02 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.176 -0.465 . . . . 3.3900000000000001 111.29 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.613 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -79.06 -36.18 41.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.969 -0.559 . . . . 0.65000000000000002 111.64 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.643 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.3 ttt180 -55.04 -49.18 72.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 3.3100000000000001 111.87 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.7 -30.25 66.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.06 0.763 . . . . 1.45 113.06 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.6 ptpt -79.42 -27.71 41.73 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.229 -0.588 . . . . 0.97999999999999998 110.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.0 t -80.57 -41.34 20.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.228 -0.442 . . . . 0.35999999999999999 110.082 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.98 -26.79 68.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 1.5900000000000001 110.041 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -41.84 18.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.591 -0.731 . . . . 0.52000000000000002 110.826 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.24 86.9 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.37 111.21 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.798 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 23.3 ptp -72.49 -9.25 58.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.39000000000000001 110.564 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.53 -20.46 20.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 0.53000000000000003 109.941 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -76.13 -56.3 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.325 -0.852 . . . . 1.3600000000000001 110.764 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.25 -11.19 59.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.677 -1.147 . . . . 1.8799999999999999 111.066 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 66.65 64.83 0.48 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.494 -0.775 . . . . 2.0099999999999998 109.365 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 14.6 t80 -76.17 129.44 36.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.798 -1.092 . . . . 1.1599999999999999 111.145 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.64 110.4 49.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 1.1599999999999999 109.952 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.49 114.93 2.16 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.55000000000000004 111.547 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -75.1 103.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.54000000000000004 110.895 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.7 -22.96 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 5.04 110.878 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.769 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -71.89 -40.41 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.43 -0.582 . . . . 0.82999999999999996 109.43 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.19 64.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.45000000000000001 109.83 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.89 -37.27 84.09 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.692 -0.685 . . . . 1.21 109.826 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -72.03 -24.16 61.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.244 0.545 . . . . 2.0099999999999998 110.171 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 tp -81.05 -54.61 5.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.51000000000000001 110.062 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.89 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.508 -0.769 . . . . 0.48999999999999999 111.13 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.839 -0.696 . . . . 1.1399999999999999 112.431 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 66.4 t . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.78000000000000003 110.045 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.421 HG22 ' ND2' ' B' ' 50' ' ' ASN . 17.6 p -96.08 166.57 11.69 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.005 -0.543 . . . . 0.5 110.299 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.57 HD12 HG21 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -77.68 -10.91 59.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.632 -1.247 . . . . 0.65000000000000002 107.632 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.42 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 25.9 m-85 -76.0 -40.8 52.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 113.535 -1.666 . . . . 1.27 109.748 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -60.72 -38.45 85.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.684 -0.689 . . . . 1.3100000000000001 110.33 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.698 ' HA ' HD23 ' B' ' 45' ' ' LEU . 45.5 t -63.83 -39.2 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.254 -0.884 . . . . 0.28000000000000003 110.967 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.597 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -72.59 -48.84 36.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.37 111.744 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.9 -31.33 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.694 -0.685 . . . . 2.3399999999999999 111.965 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -79.37 -38.77 34.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.345 -0.388 . . . . 1.5800000000000001 111.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.49 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -74.44 -21.99 59.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 0.64000000000000001 111.893 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.36 38.15 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.974 -0.632 . . . . 0.58999999999999997 112.597 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.499 HG11 HG22 ' B' ' 34' ' ' THR . 21.1 m -119.14 179.15 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.953 -0.388 . . . . 0.5 109.953 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -75.72 156.62 34.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.589 -0.893 . . . . 0.64000000000000001 108.589 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.597 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.68 -22.14 66.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.461 0.648 . . . . 1.49 109.364 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -76.06 -23.87 55.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.608 -0.724 . . . . 0.96999999999999997 110.646 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.8 m -62.41 -36.87 83.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.006 -0.739 . . . . 0.54000000000000004 109.006 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.471 ' HA ' HG11 ' B' ' 38' ' ' VAL . 62.1 t -75.37 -39.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.947 -1.024 . . . . 0.44 108.863 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 1.9 t -57.37 -34.17 68.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.416 -0.811 . . . . 1.29 110.462 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 22.4 mmt180 -64.44 -48.07 76.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.679 -0.691 . . . . 2.6600000000000001 111.074 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 t -67.16 -38.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 0.73999999999999999 110.104 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 20.7 t -65.62 -37.58 80.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 0.89000000000000001 111.142 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 1.6799999999999999 110.961 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.777 0.322 . . . . 1.3100000000000001 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -135.21 123.49 39.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 178.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 171.94 12.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.279 -0.419 . . . . 1.4199999999999999 111.067 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.11 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.065 0.394 . . . . 1.0700000000000001 112.065 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -66.46 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.379 0.511 . . . . 3.2999999999999998 112.379 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.499 HG22 HG11 ' B' ' 15' ' ' VAL . 0.7 OUTLIER -95.88 -44.9 7.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.91 0.708 . . . . 0.79000000000000004 112.91 -178.117 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 75.9 ttt180 -57.03 -53.39 58.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.764 0.316 . . . . 3.21 111.378 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.75 -28.25 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.386 -0.37 . . . . 2.0899999999999999 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 22.1 ttmm -69.72 -42.4 74.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.378 -0.374 . . . . 1.6599999999999999 110.149 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 20' ' ' VAL . 77.6 t -63.74 -49.44 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.42999999999999999 110.28 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 38.7 mt-10 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 1.79 110.86 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.74 63.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.69999999999999996 110.713 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.77 70.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.535 . . . . 0.46999999999999997 111.187 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 65.8 mtt -59.39 -26.71 65.34 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.222 -0.445 . . . . 0.52000000000000002 110.621 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.06 -38.71 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.515 . . . . 0.62 110.832 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.67 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.729 -0.669 . . . . 1.55 110.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.3 OUTLIER -86.08 -10.81 54.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.305 -0.407 . . . . 0.98999999999999999 111.748 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 62.03 51.48 3.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.146 -1.427 . . . . 1.77 107.146 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -59.27 108.77 0.74 Allowed 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 114.023 -1.444 . . . . 1.3300000000000001 113.245 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.47 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 44.1 mm -120.32 94.14 48.56 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 106.513 -1.662 . . . . 1.28 106.513 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.44 119.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 124.633 3.555 . . . . 0.82999999999999996 114.195 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.421 ' ND2' HG22 ' B' ' 5' ' ' THR . 3.4 p-10 -67.19 88.34 0.17 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.403 -0.817 . . . . 1.6399999999999999 110.339 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -51.41 -31.02 21.25 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.614 -1.175 . . . . 4.7599999999999998 112.697 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.769 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.9 m -54.82 -49.91 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.836 0.351 . . . . 0.69999999999999996 111.524 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.42 -24.09 18.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 0.54000000000000004 111.453 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.01 -40.07 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.555 -0.293 . . . . 1.49 110.855 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.88 -38.51 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.428 -0.952 . . . . 2.52 108.428 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.464 ' HA ' HD12 ' B' ' 56' ' ' LEU . 8.3 tp -58.0 -67.19 0.37 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.749 -1.114 . . . . 0.57999999999999996 110.203 177.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 1.02 111.329 -179.249 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 C--O 1.232 0.217 0 CA-C-O 121.004 0.335 . . . . 1.3 111.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.931 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 82.4 t -73.25 135.53 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.394 -0.595 . . . . 0.54000000000000004 109.394 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.39 174.23 5.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.26 -0.427 . . . . 0.40999999999999998 110.612 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.76 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -65.16 -17.67 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.498 -0.319 . . . . 0.28999999999999998 110.563 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -75.17 -38.43 60.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.48999999999999999 109.944 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.648 ' HB2' HG13 ' A' ' 4' ' ' VAL . 53.5 m-20 -66.92 -38.73 86.75 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.13 0.491 . . . . 1.75 109.846 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.84 -44.61 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 0.22 109.754 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.85 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.027 -0.988 . . . . 0.29999999999999999 110.83 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.05 -32.91 69.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.067 -0.515 . . . . 2.21 111.787 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 45' ' ' LEU . 32.5 t80 -78.06 -35.89 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.575 -0.284 . . . . 1.49 111.477 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -86.46 -18.09 32.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.38 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 36.69 15.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.685 -0.769 . . . . 0.52000000000000002 111.378 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' HD2' ' A' ' 37' ' ' LYS . 31.4 m -128.95 -174.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.087 -0.338 . . . . 0.35999999999999999 110.087 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.52 155.49 16.72 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.693 -0.484 . . . . 1.26 109.693 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.76 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 33.6 p90 -59.11 -33.69 71.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.808 0.337 . . . . 1.3200000000000001 110.727 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.65 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.1 tp60 -65.33 -35.54 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.278 -0.638 . . . . 1.0900000000000001 109.278 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -63.24 -42.8 99.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.48999999999999999 109.812 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 24' ' ' VAL . 83.6 t -60.5 -46.35 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.358 -0.837 . . . . 0.25 110.041 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -59.2 -31.78 69.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.743 -0.662 . . . . 0.87 111.023 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 37.7 mmt180 -63.01 -29.18 70.62 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.241 -0.436 . . . . 2.0299999999999998 110.599 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG22 HG11 ' A' ' 30' ' ' VAL . 13.3 t -92.62 -48.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.44 111.376 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.4 t -52.07 -48.34 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.711 -0.677 . . . . 0.40999999999999998 112.664 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -109.99 5.99 22.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.736 -0.386 . . . . 1.72 111.42 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 47.0 mt-30 54.02 57.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.768 . . . . 4.8799999999999999 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.89 30.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.424 -0.807 . . . . 2.27 111.384 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 7.5 t 60.59 -172.82 0.13 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.37 -0.832 . . . . 1.52 111.219 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 58.25 34.88 24.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.155 -0.475 . . . . 0.76000000000000001 111.805 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -127.83 131.1 70.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.014 0.435 . . . . 1.1599999999999999 110.948 178.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -101.01 169.44 8.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.359 -0.837 . . . . 1.3 109.962 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.75 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.641 0.258 . . . . 1.0600000000000001 110.808 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 24.6 mtmt -52.99 -46.37 68.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.836 -0.62 . . . . 3.3900000000000001 111.324 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.661 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -83.16 -41.12 18.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.65000000000000002 111.861 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.8 ttt180 -60.33 -38.7 84.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.86 0.318 . . . . 3.3100000000000001 111.86 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.01 -9.51 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.39 0.515 . . . . 1.45 112.39 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -103.14 -29.87 11.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.97999999999999998 110.351 179.056 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 42' ' ' MET . 92.5 t -76.72 -45.82 31.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.35999999999999999 110.706 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.512 ' HG3' HG11 ' A' ' 23' ' ' VAL . 40.6 mt-10 -68.02 -20.37 64.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.222 0.534 . . . . 1.5900000000000001 110.113 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -84.8 -43.53 14.11 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.507 -0.77 . . . . 0.52000000000000002 109.834 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.59 86.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.087 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.788 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.2 ptp -71.9 -11.37 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.09 -0.505 . . . . 0.39000000000000001 111.064 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.32 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.53000000000000003 109.72 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -72.37 -57.67 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.319 -0.855 . . . . 1.3600000000000001 111.103 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -81.28 -9.88 59.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.831 -1.077 . . . . 1.8799999999999999 111.918 -178.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.1 m120 67.75 63.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.618 0.723 . . . . 2.0099999999999998 109.667 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.931 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.1 t80 -65.62 136.35 56.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.649 -1.16 . . . . 1.1599999999999999 111.862 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 mm -109.06 107.29 59.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.412 -0.813 . . . . 1.1599999999999999 111.007 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.69 111.58 2.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.684 2.256 . . . . 0.55000000000000004 110.512 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -79.87 112.83 17.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.54000000000000004 111.802 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -76.97 -22.02 53.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.563 -0.744 . . . . 5.04 110.558 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -48.85 21.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.912 -0.586 . . . . 0.82999999999999996 109.847 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -61.29 -31.78 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.336 -0.847 . . . . 0.45000000000000001 110.281 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.24 -38.68 91.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.739 -0.664 . . . . 1.21 109.909 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -71.99 -42.13 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 2.0099999999999998 110.331 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.9 -46.74 77.21 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 111.173 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.66 -23.08 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.48999999999999999 111.133 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 CA-C-N 115.95 -0.568 . . . . 1.1399999999999999 112.411 179.337 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.1 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.78000000000000003 110.233 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.4 p -89.37 175.26 7.39 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.932 -0.577 . . . . 0.5 110.746 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.534 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -81.13 -8.89 59.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.379 -1.341 . . . . 0.65000000000000002 107.379 178.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.424 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 14.4 m-85 -79.53 -44.46 21.13 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.496 -1.684 . . . . 1.27 109.576 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.47 -38.8 85.38 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.318 -0.855 . . . . 1.3100000000000001 110.338 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' B' ' 45' ' ' LEU . 68.0 t -60.4 -43.38 93.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.746 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.96 -48.51 65.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.37 111.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.89 -40.43 73.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.606 -0.725 . . . . 2.3399999999999999 111.818 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.572 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.6 t80 -73.53 -36.95 65.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.625 . . . . 1.5800000000000001 111.601 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.684 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -73.65 -22.87 59.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.64000000000000001 111.457 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.31 8.9 63.92 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.58999999999999997 112.265 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.25 169.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.131 -0.322 . . . . 0.5 110.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 148.22 44.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.809 -0.812 . . . . 0.64000000000000001 108.809 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -62.14 -21.55 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.373 . . . . 1.49 111.284 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.7 -24.0 60.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.06 0.457 . . . . 0.96999999999999997 109.874 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 51.8 m -68.08 -29.58 68.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.33 -0.989 . . . . 0.54000000000000004 108.33 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.407 HG13 HG11 ' B' ' 38' ' ' VAL . 15.0 t -69.8 -51.7 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.399 -0.963 . . . . 0.44 108.399 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -50.43 -36.2 32.08 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 120.906 0.384 . . . . 1.29 110.245 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 22.9 mtm180 -68.12 -51.54 45.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.055 -0.521 . . . . 2.6600000000000001 110.603 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.772 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.8 t -57.66 -33.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.386 0.612 . . . . 0.73999999999999999 110.669 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 71.2 t -81.82 -31.35 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.89000000000000001 112.177 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 . . . . . 0 C--N 1.332 -0.183 0 N-CA-C 112.765 0.654 . . . . 1.6799999999999999 112.765 -178.13 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.653 0.263 . . . . 1.3100000000000001 110.821 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' B' ' 22' ' ' ARG . 44.7 t -129.31 98.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.462 . . . . 1.22 110.881 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 159.05 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.654 -0.703 . . . . 1.4199999999999999 110.957 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.36 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 1.0700000000000001 110.86 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.69 -52.92 63.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.983 -0.553 . . . . 3.2999999999999998 111.561 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -68.62 -39.78 80.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.605 -0.271 . . . . 0.79000000000000004 111.468 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.772 ' HG3' HG13 ' B' ' 23' ' ' VAL . 45.1 ttt180 -60.98 -49.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 3.21 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.51 -33.99 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 2.0899999999999999 111.274 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.684 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.5 ttpt -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.877 0.37 . . . . 1.6599999999999999 110.25 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 34' ' ' THR . 84.4 t -70.54 -45.82 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.42999999999999999 110.282 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.27 -41.41 84.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 1.79 111.134 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.86 80.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.312 -0.404 . . . . 0.69999999999999996 110.554 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.46999999999999997 110.808 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 41.6 mtt -60.5 -23.82 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.54 . . . . 0.52000000000000002 110.24 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.71 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 0.62 110.367 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.77 -52.25 64.97 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 115.917 -0.583 . . . . 1.55 110.868 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.8 OUTLIER -81.53 -18.94 43.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 0.98999999999999999 111.299 -179.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.3 t30 69.85 59.78 0.28 Allowed 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 107.304 -1.369 . . . . 1.77 107.304 -176.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.5 t80 -49.08 118.88 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.129 -1.396 . . . . 1.3300000000000001 112.787 -178.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 46' ' ' ASN . 40.4 mt -116.87 94.51 44.44 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 107.304 -1.369 . . . . 1.28 107.304 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -28.21 122.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 125.014 3.809 . . . . 0.82999999999999996 114.902 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.4 57.66 0.53 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.988 -1.006 . . . . 1.6399999999999999 110.349 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -48.1 -25.33 1.4 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.538 0.94 . . . . 4.7599999999999998 113.538 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 -69.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.69999999999999996 109.806 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.938 -0.574 . . . . 0.54000000000000004 111.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.76 -45.26 65.1 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 1.49 110.635 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -68.44 -35.34 77.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.807 -0.442 . . . . 2.52 109.807 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 53' ' ' ALA . 16.7 tp -63.02 -57.82 9.38 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.355 -0.839 . . . . 0.57999999999999996 108.833 176.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 124.113 0.883 . . . . 1.02 112.782 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.462 -0.348 0 N-CA-C 110.917 -0.455 . . . . 1.3 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.759 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 76.7 t -66.62 129.68 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.118 -0.697 . . . . 0.54000000000000004 109.118 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -100.56 171.24 7.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.761 -0.654 . . . . 0.40999999999999998 110.106 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.727 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.44 -15.47 63.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.28999999999999998 110.545 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.96 -34.66 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.211 0.529 . . . . 0.48999999999999999 110.021 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.604 ' HB2' HG13 ' A' ' 4' ' ' VAL . 17.9 m-20 -72.95 -36.85 67.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.576 -0.738 . . . . 1.75 109.622 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.48 -44.69 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.425 -0.807 . . . . 0.22 109.91 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.41 98.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.025 -0.989 . . . . 0.29999999999999999 110.788 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -66.07 -41.91 90.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.848 -0.614 . . . . 2.21 111.458 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -70.93 -35.07 72.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 1.49 111.819 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.42 -20.36 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.93 0.395 . . . . 0.46000000000000002 111.373 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.63 37.35 12.05 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.983 -0.847 . . . . 0.52000000000000002 110.983 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.1 m -130.01 -165.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.712 -0.477 . . . . 0.35999999999999999 109.712 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 p -107.82 152.91 23.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.727 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.9 p90 -55.63 -33.78 64.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 1.3200000000000001 110.526 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 22' ' ' ARG . 63.3 tp60 -65.58 -36.0 82.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0900000000000001 109.823 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 23' ' ' VAL . 91.2 m -66.92 -41.71 86.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.756 -0.831 . . . . 0.48999999999999999 108.756 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.561 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.03 -45.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 0.25 109.877 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.685 -0.689 . . . . 0.87 110.75 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HB3' HG22 ' A' ' 30' ' ' VAL . 58.2 mtt180 -66.37 -30.97 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.0299999999999998 110.305 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 35' ' ' ARG . 46.4 t -81.05 -47.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.816 -0.629 . . . . 0.44 110.366 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.4 t -59.75 -46.65 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.177 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.81 -15.57 57.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 1.72 111.094 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 59.83 55.57 3.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.45 0.643 . . . . 4.8799999999999999 110.121 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.02 -148.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.229 -0.896 . . . . 2.27 111.377 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -100.57 -176.58 3.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 1.52 110.787 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 1.6 m170 62.0 27.42 16.61 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.037 0.535 . . . . 0.76000000000000001 111.777 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -120.12 105.7 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 120.63 -0.428 . . . . 1.1599999999999999 111.667 -179.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -73.45 153.74 40.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.13 -0.693 . . . . 1.3 109.13 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.3 -43.01 78.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.171 0.434 . . . . 1.0600000000000001 112.171 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -56.38 -47.01 79.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.339 -0.391 . . . . 3.3900000000000001 111.998 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.632 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -73.8 -37.35 64.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.047 -0.261 . . . . 0.65000000000000002 111.582 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HG3' HG13 ' A' ' 23' ' ' VAL . 31.4 ttt180 -60.06 -43.07 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.736 0.303 . . . . 3.3100000000000001 111.376 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 20.0 mt-10 -75.73 -21.65 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.263 0.468 . . . . 1.45 112.263 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.632 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -89.03 -28.56 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.225 -0.59 . . . . 0.97999999999999998 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 20' ' ' VAL . 72.4 t -73.7 -43.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.823 -0.436 . . . . 0.35999999999999999 109.823 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.6 mt-10 -64.69 -29.31 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 1.5900000000000001 109.898 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.45 60.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.781 . . . . 0.52000000000000002 110.692 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.84 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.37 111.752 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.738 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.6 ptp -70.45 -11.26 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.277 -0.42 . . . . 0.39000000000000001 110.81 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.86 15.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.084 0.469 . . . . 0.53000000000000003 110.368 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.45 -51.58 34.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.839 0.828 . . . . 1.3600000000000001 110.52 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.6 mt -82.41 -13.35 56.95 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.649 -1.159 . . . . 1.8799999999999999 111.78 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.51 67.18 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.815 0.817 . . . . 2.0099999999999998 109.532 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.3 t80 -69.38 138.91 54.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.293 -1.321 . . . . 1.1599999999999999 111.992 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -109.11 107.06 59.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.671 -0.695 . . . . 1.1599999999999999 110.902 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.33 103.75 1.14 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.643 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -74.56 111.96 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.393 0.516 . . . . 0.54000000000000004 112.393 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -84.11 -21.94 31.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.73 -37.51 70.58 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.429 -0.952 . . . . 0.82999999999999996 108.429 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -70.95 -30.97 67.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.997 -1.001 . . . . 0.45000000000000001 109.185 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.48 -36.13 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.508 -0.769 . . . . 1.21 109.743 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.67 -30.65 71.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.393 0.616 . . . . 2.0099999999999998 109.486 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.81 -55.4 4.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.209 -0.905 . . . . 0.51000000000000001 110.673 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.3 68.25 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.015 -0.539 . . . . 0.48999999999999999 112.408 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 121.02 -0.609 . . . . 1.1399999999999999 112.468 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.945 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 57.5 t . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.78000000000000003 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.429 HG22 HD21 ' B' ' 50' ' ' ASN . 6.0 p -91.26 167.46 12.3 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.148 -0.478 . . . . 0.5 110.063 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.484 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -81.04 -8.1 59.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.128 -1.064 . . . . 0.65000000000000002 108.128 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.415 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 14.2 m-85 -79.81 -41.37 26.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.692 -1.595 . . . . 1.27 109.38 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.42 -37.33 87.15 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.474 -0.785 . . . . 1.3100000000000001 110.166 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' B' ' 45' ' ' LEU . 83.2 t -58.73 -39.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.39 -0.823 . . . . 0.28000000000000003 110.357 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.53 -47.78 62.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.37 111.532 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 46.5 mt-10 -57.45 -40.67 78.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 2.3399999999999999 111.767 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.4 ' CB ' HD21 ' B' ' 45' ' ' LEU . 30.7 t80 -75.36 -35.55 61.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.518 -0.31 . . . . 1.5800000000000001 111.835 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.99 -27.38 60.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.64000000000000001 111.454 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.28 35.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.58999999999999997 112.013 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.444 HG11 HG22 ' B' ' 34' ' ' THR . 30.7 m -121.33 175.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.797 -0.446 . . . . 0.5 109.797 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 90.6 p -77.37 155.49 31.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.103 -0.703 . . . . 0.64000000000000001 109.103 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.57 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -61.16 -26.68 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 1.49 110.081 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.37 -30.78 68.85 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.96999999999999997 110.515 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -61.57 -37.13 82.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.093 -0.706 . . . . 0.54000000000000004 109.093 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' CG1' ' B' ' 38' ' ' VAL . 37.0 t -72.77 -42.63 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.158 -0.928 . . . . 0.44 108.812 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 2.0 t -54.78 -38.49 67.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.471 -0.786 . . . . 1.29 110.29 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 38.5 mmt180 -62.1 -54.04 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.624 -0.716 . . . . 2.6600000000000001 110.938 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.522 HG22 HG11 ' B' ' 30' ' ' VAL . 13.7 t -61.3 -36.16 71.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.171 0.51 . . . . 0.73999999999999999 110.411 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.41 HG21 HD12 ' B' ' 6' ' ' LEU . 3.5 t -67.8 -36.65 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.89000000000000001 111.054 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 1.6799999999999999 110.868 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.663 0.268 . . . . 1.3100000000000001 110.844 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.522 HG11 HG22 ' B' ' 23' ' ' VAL . 13.1 t -131.95 104.96 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 1.22 110.115 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 154.38 35.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 1.4199999999999999 110.393 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.29 -41.39 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.234 0.334 . . . . 1.0700000000000001 111.719 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 45.3 mtmt -58.14 -52.62 64.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.15 -0.477 . . . . 3.2999999999999998 110.58 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.444 HG22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.79000000000000004 111.088 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 3.21 110.476 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.34 -38.86 91.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.5 -0.773 . . . . 2.0899999999999999 111.252 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 98.6 mttt -60.86 -46.25 91.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.6599999999999999 110.38 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.437 ' CG1' HG13 ' B' ' 20' ' ' VAL . 95.2 t -64.52 -51.22 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.653 -0.703 . . . . 0.42999999999999999 110.717 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.2 -43.38 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 1.79 111.125 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.15 89.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.69999999999999996 110.983 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.19 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.46999999999999997 110.627 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.2 mtt -63.91 -24.02 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 109.757 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.0 -37.13 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.62 110.26 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.39 -47.91 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.982 -0.553 . . . . 1.55 110.643 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.1 OUTLIER -78.6 -22.2 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.532 -0.758 . . . . 0.98999999999999999 111.796 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 68.97 54.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.72 -1.585 . . . . 1.77 106.72 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.945 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -52.66 108.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.65 -1.613 . . . . 1.3300000000000001 113.211 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mm -110.53 96.19 26.41 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.255 -1.387 . . . . 1.28 107.255 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -30.86 130.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.042 3.828 . . . . 0.82999999999999996 115.255 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.429 HD21 HG22 ' B' ' 5' ' ' THR . 5.6 m-20 -72.43 66.45 0.68 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 114.856 -1.066 . . . . 1.6399999999999999 109.833 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -42.76 -43.46 3.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.646 0.98 . . . . 4.7599999999999998 113.646 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 63.2 m -58.77 -54.78 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 0.69999999999999996 112.063 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.4 -27.64 41.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.54000000000000004 111.954 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.63 -46.26 54.93 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.89 0.33 . . . . 1.49 111.89 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.05 -28.43 66.54 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.589 -0.523 . . . . 2.52 109.589 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 12.1 tp -70.63 -70.6 0.29 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.57999999999999996 109.788 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 114.97 -1.014 . . . . 1.02 112.763 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.463 -0.301 0 CA-C-O 120.854 0.273 . . . . 1.3 112.225 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.719 HG11 ' HG ' ' A' ' 45' ' ' LEU . 87.2 t -90.88 134.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.944 -0.762 . . . . 0.54000000000000004 108.944 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.02 171.75 7.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.743 0.306 . . . . 0.40999999999999998 110.957 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.0 pt? -65.63 -17.11 64.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.28999999999999998 110.524 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.24 -33.9 61.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.48999999999999999 109.309 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.35 -40.32 81.58 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.489 -0.778 . . . . 1.75 109.65 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.81 -44.15 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.22 110.165 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.87 79.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.939 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.62 -27.23 51.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.363 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.7 t80 -77.41 -36.93 52.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 1.49 110.435 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -89.52 -17.13 29.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.46000000000000002 111.729 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.65 39.88 16.61 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 110.991 -0.843 . . . . 0.52000000000000002 110.991 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG21 HG22 ' A' ' 38' ' ' VAL . 22.8 m -131.21 -172.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.153 -0.524 . . . . 0.35999999999999999 109.625 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.9 p -96.68 158.07 15.6 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.238 -0.653 . . . . 1.26 109.238 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.681 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 51.5 p90 -62.7 -25.58 68.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.279 -0.638 . . . . 1.3200000000000001 109.279 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -67.2 -35.22 79.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.175 -0.921 . . . . 1.0900000000000001 109.328 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -67.79 -41.26 83.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.738 -0.665 . . . . 0.48999999999999999 109.558 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.594 ' HA ' HG11 ' A' ' 38' ' ' VAL . 92.4 t -60.0 -53.62 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.467 -0.788 . . . . 0.25 110.062 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 t -62.09 -29.89 70.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.388 -0.369 . . . . 0.87 110.344 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -59.42 -27.09 65.73 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.581 -0.736 . . . . 2.0299999999999998 111.277 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG22 HG11 ' A' ' 30' ' ' VAL . 21.6 t -102.61 -48.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.393 -0.367 . . . . 0.44 111.347 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 20' ' ' VAL . 42.9 t -55.6 -51.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.771 1.026 . . . . 0.40999999999999998 113.771 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -130.76 22.37 5.02 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.625 0.972 . . . . 1.72 113.625 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' OE1' ' HD2' ' A' ' 22' ' ' ARG . 66.0 mt-30 -129.1 -53.38 1.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.712 -0.795 . . . . 4.8799999999999999 112.074 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.4 38.93 12.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.546 0.689 . . . . 2.27 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.4 t -155.17 158.01 38.29 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.971 -1.013 . . . . 1.52 108.297 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 64.5 28.63 13.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.813 0.279 . . . . 0.76000000000000001 110.959 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -125.43 126.82 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.71 -0.478 . . . . 1.1599999999999999 109.71 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.008 -0.542 . . . . 1.3 111.573 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.24 -62.02 0.06 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.723 0.268 . . . . 1.0600000000000001 111.723 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -54.97 -42.66 72.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.92 0.391 . . . . 3.3900000000000001 110.796 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.6 -42.25 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.65000000000000002 111.229 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -64.75 -41.2 96.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.427 . . . . 3.3100000000000001 110.487 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.33 -21.51 62.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 1.45 112.375 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 16.8 ptpt -93.18 -27.57 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.795 -0.362 . . . . 0.97999999999999998 110.63 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.4 t -75.34 -45.87 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.35999999999999999 110.782 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.67 -20.35 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 1.5900000000000001 110.42 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -85.04 -42.32 14.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.772 -0.649 . . . . 0.52000000000000002 110.07 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.43 -43.3 90.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.851 -0.613 . . . . 0.37 111.654 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.711 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -66.37 -10.01 39.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.39000000000000001 111.604 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.62 -11.73 21.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.211 0.529 . . . . 0.53000000000000003 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 8.1 mm-40 -84.8 -59.54 2.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.672 -0.695 . . . . 1.3600000000000001 110.771 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.62 1.35 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.295 -0.866 . . . . 1.8799999999999999 112.03 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.48 70.6 0.52 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.443 0.64 . . . . 2.0099999999999998 111.147 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.711 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 8.6 t80 -76.82 131.15 38.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.703 -0.68 . . . . 1.1599999999999999 110.656 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.41 106.37 57.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.683 -0.689 . . . . 1.1599999999999999 110.992 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.68 116.94 3.96 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.374 2.049 . . . . 0.55000000000000004 110.285 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -83.64 113.3 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.114 0.483 . . . . 0.54000000000000004 111.988 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 38.1 mtm180 -73.65 -30.23 62.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 5.04 110.821 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.673 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -69.87 -41.06 75.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.82999999999999996 110.263 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.95 -32.76 74.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.914 -0.585 . . . . 0.45000000000000001 109.536 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -64.9 -40.27 94.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 1.21 110.292 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 92.6 mt-30 -66.47 -45.37 79.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 2.0099999999999998 110.366 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.43 -50.57 67.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.484 -0.78 . . . . 0.51000000000000001 111.317 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -26.65 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.717 -0.674 . . . . 0.48999999999999999 112.117 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.048 -0.596 . . . . 1.1399999999999999 112.515 -179.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 61.7 t . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.813 -0.44 . . . . 0.78000000000000003 109.813 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.455 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 24.0 p -93.03 176.68 6.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.27 -0.423 . . . . 0.5 109.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.562 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -79.9 -10.25 59.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.714 -1.217 . . . . 0.65000000000000002 107.714 179.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.455 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 18.6 m-85 -78.59 -40.11 35.55 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.696 -1.593 . . . . 1.27 109.75 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.16 -37.27 85.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.764 -0.653 . . . . 1.3100000000000001 110.015 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.37 -36.78 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.91 . . . . 0.28000000000000003 110.567 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.43 -55.02 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.37 111.726 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.611 . . . . 2.3399999999999999 111.622 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.497 ' CD1' HD21 ' B' ' 45' ' ' LEU . 68.3 t80 -67.58 -44.88 77.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 1.5800000000000001 111.025 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.54 -18.21 59.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.129 0.49 . . . . 0.64000000000000001 111.707 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.97 14.45 67.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.95 -0.643 . . . . 0.58999999999999997 112.333 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.08 176.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.671 -0.492 . . . . 0.5 109.671 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 83.4 p -78.29 157.05 29.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.502 -0.925 . . . . 0.64000000000000001 108.502 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.725 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -68.37 -15.86 63.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.505 0.669 . . . . 1.49 109.852 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -78.39 -27.54 46.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.246 -0.888 . . . . 0.96999999999999997 109.469 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -62.85 -30.67 71.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.691 -0.855 . . . . 0.54000000000000004 108.691 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' B' ' 38' ' ' VAL . 3.4 t -70.24 -50.68 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.029 -0.987 . . . . 0.44 109.109 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -48.08 -36.42 13.08 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.004 0.521 . . . . 1.29 111.768 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 40.8 mmt180 -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.183 -0.462 . . . . 2.6600000000000001 111.398 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.69 -36.35 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.73999999999999999 111.328 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.62 -38.65 82.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.825 -0.625 . . . . 0.89000000000000001 111.821 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.639 0.733 . . . . 1.6799999999999999 111.236 -179.388 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 120.977 0.417 . . . . 1.3100000000000001 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.26 123.51 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.937 -0.574 . . . . 1.22 110.367 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -73.34 153.59 40.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.851 -0.613 . . . . 1.4199999999999999 109.657 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.495 ' HA ' ' HD2' ' B' ' 35' ' ' ARG . . . -50.82 -44.75 59.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.786 0.291 . . . . 1.0700000000000001 111.786 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.9 -45.59 91.81 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.057 0.456 . . . . 3.2999999999999998 111.247 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -40.14 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.043 -0.526 . . . . 0.79000000000000004 111.738 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.495 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 50.5 mtt180 -54.08 -54.44 39.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.181 0.515 . . . . 3.21 110.691 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.82 -41.17 95.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.325 -0.852 . . . . 2.0899999999999999 111.332 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.618 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 23.8 ttmm -58.2 -46.67 85.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.646 . . . . 1.6599999999999999 111.615 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' B' ' 20' ' ' VAL . 53.4 t -70.55 -46.94 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.42 -0.355 . . . . 0.42999999999999999 111.248 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.75 -42.26 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 1.79 110.906 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.14 -34.06 75.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.518 -0.31 . . . . 0.69999999999999996 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.13 73.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.46999999999999997 110.448 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 54.1 mtt -67.26 -19.49 65.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.564 . . . . 0.52000000000000002 110.44 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.58 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.62 110.787 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 76.8 mm-40 -64.1 -55.61 20.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.335 0.588 . . . . 1.55 110.722 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.3 OUTLIER -84.51 -10.25 57.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.474 -0.785 . . . . 0.98999999999999999 111.208 -179.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 t30 61.65 63.32 1.17 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.446 -0.946 . . . . 1.77 108.446 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.598 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -59.09 117.63 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.535 -1.212 . . . . 1.3300000000000001 112.188 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.5 mt -118.15 101.14 51.71 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 107.471 -1.307 . . . . 1.28 107.471 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.29 134.54 8.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.801 3.001 . . . . 0.82999999999999996 114.018 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 88.3 m-20 -60.14 99.71 0.08 Allowed 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.777 -0.647 . . . . 1.6399999999999999 109.773 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.605 ' HD3' ' H ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -51.59 -38.05 52.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.974 0.361 . . . . 4.7599999999999998 111.974 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.673 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 57.9 m -75.3 -54.18 7.51 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.727 0.64 . . . . 0.69999999999999996 112.727 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -38.28 63.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.526 0.936 . . . . 0.54000000000000004 113.526 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 5.4 mm-40 -67.13 -52.73 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.816 0.302 . . . . 1.49 111.816 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.3 -35.98 74.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.32 0.581 . . . . 2.52 110.256 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 11.7 tp -64.88 -67.35 0.44 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.155 -0.93 . . . . 0.57999999999999996 110.702 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 1.02 113.808 -178.189 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.461 -0.413 0 CA-C-O 121.217 0.424 . . . . 1.3 111.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.104 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.1 t -70.55 144.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.726 -0.67 . . . . 0.54000000000000004 110.115 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.62 165.15 11.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.165 -0.471 . . . . 0.40999999999999998 110.229 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.912 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -64.26 -16.78 62.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.28999999999999998 111.238 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -77.58 -36.4 52.05 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.48999999999999999 109.956 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -34.89 67.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.75 110.34 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.17 -41.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.478 0.656 . . . . 0.22 109.432 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.47 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.937 -1.028 . . . . 0.29999999999999999 111.308 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -35.58 80.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.795 -0.639 . . . . 2.21 111.616 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.6 t80 -79.49 -34.42 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.53 -0.304 . . . . 1.49 111.479 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.24 -16.89 44.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.621 0.248 . . . . 0.46000000000000002 111.172 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.94 30.11 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.977 -0.849 . . . . 0.52000000000000002 110.977 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -129.29 -165.54 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.062 -0.569 . . . . 0.35999999999999999 109.813 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -110.35 152.45 26.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.878 -0.601 . . . . 1.26 109.394 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.912 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 43.9 p90 -55.13 -25.54 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.961 0.41 . . . . 1.3200000000000001 110.939 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 7.7 tp-100 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 1.0900000000000001 109.626 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.6 m -65.82 -47.06 76.3 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.48999999999999999 109.594 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.655 ' HA ' HG11 ' A' ' 38' ' ' VAL . 98.7 t -54.91 -50.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.145 -0.934 . . . . 0.25 111.134 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.7 t -60.54 -36.44 78.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.439 -0.346 . . . . 0.87 111.516 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 88.1 mtt-85 -68.85 -27.37 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.727 0.299 . . . . 2.0299999999999998 110.586 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 19' ' ' THR . 65.2 t -83.26 -50.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.44 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' VAL . 68.9 t -58.81 -45.63 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.416 -0.811 . . . . 0.40999999999999998 112.102 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -88.6 -3.64 58.75 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.898 0.333 . . . . 1.72 111.898 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 55.92 65.54 1.42 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.3 0.572 . . . . 4.8799999999999999 109.983 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.82 -153.07 0.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.721 -0.672 . . . . 2.27 111.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 1.9 p -99.48 175.82 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 1.52 110.324 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.507 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 2.0 m170 62.23 39.71 12.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.825 0.45 . . . . 0.76000000000000001 111.538 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -130.14 124.97 59.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 120.805 0.336 . . . . 1.1599999999999999 111.239 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -99.52 148.65 24.04 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.487 -0.561 . . . . 1.3 109.487 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.19 -26.34 66.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 1.0600000000000001 111.972 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -61.13 -43.84 98.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.929 0.395 . . . . 3.3900000000000001 111.067 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -91.84 -28.83 17.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.65000000000000002 111.293 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -56.1 -42.99 77.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 3.3100000000000001 110.974 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 37.5 mt-10 -69.06 -41.08 78.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.419 0.526 . . . . 1.45 112.419 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 19.2 ptpt -68.61 -31.96 71.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.97999999999999998 110.809 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HA ' ' A' ' 20' ' ' VAL . 92.0 t -74.13 -42.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.25 -0.432 . . . . 0.35999999999999999 109.998 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 35.8 mt-10 -65.23 -27.83 68.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.184 0.516 . . . . 1.5900000000000001 109.898 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -81.92 -39.65 23.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.649 -0.705 . . . . 0.52000000000000002 110.441 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.75 91.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.037 0.446 . . . . 0.37 110.997 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.793 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -72.89 -6.23 43.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.39000000000000001 110.738 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.212 0.529 . . . . 0.53000000000000003 109.909 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.6 mm-40 -72.21 -61.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 1.3600000000000001 110.109 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -13.95 60.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.411 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.5 62.27 0.28 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.573 0.701 . . . . 2.0099999999999998 109.438 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.104 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.1 t80 -64.39 138.06 58.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.573 -1.194 . . . . 1.1599999999999999 111.599 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.33 104.44 53.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.1599999999999999 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.53 115.77 2.89 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.805 2.337 . . . . 0.55000000000000004 111.221 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -83.17 98.77 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.54000000000000004 111.563 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -73.85 -15.58 61.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.654 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -77.91 -41.21 37.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.037 -0.727 . . . . 0.82999999999999996 109.037 179.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -69.07 -28.15 66.27 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.361 -0.836 . . . . 0.45000000000000001 109.282 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -37.01 80.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.222 -0.899 . . . . 1.21 110.006 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -71.06 -24.87 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 2.0099999999999998 110.149 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -82.28 -54.95 4.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.87 -0.605 . . . . 0.51000000000000001 110.307 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.42 87.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.729 -0.669 . . . . 0.48999999999999999 110.599 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-N 115.791 -0.64 . . . . 1.1399999999999999 111.708 179.328 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 84.6 t . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.524 -0.546 . . . . 0.78000000000000003 109.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 19.0 p -91.13 173.67 7.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.947 -0.57 . . . . 0.5 110.2 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.523 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -76.2 -11.39 59.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.58 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 31.8 m-85 -75.71 -43.86 45.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.081 -1.418 . . . . 1.27 109.414 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.91 -40.35 95.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.875 -0.602 . . . . 1.3100000000000001 110.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' B' ' 45' ' ' LEU . 55.7 t -58.65 -43.31 87.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.23 -0.896 . . . . 0.28000000000000003 110.577 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.45 -46.44 76.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.37 112.226 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 5.2 mm-40 -57.86 -40.74 80.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 2.3399999999999999 111.7 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.548 ' CB ' HD21 ' B' ' 45' ' ' LEU . 57.2 t80 -71.33 -41.38 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.5800000000000001 111.06 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -70.37 -21.37 62.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.606 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.22 62.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.633 . . . . 0.58999999999999997 112.295 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.427 HG11 HG22 ' B' ' 34' ' ' THR . 27.0 m -115.43 174.22 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.5 110.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 154.27 40.47 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.775 -0.824 . . . . 0.64000000000000001 108.775 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.63 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.73 -25.96 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 1.49 110.337 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.82 -20.58 56.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.873 -0.603 . . . . 0.96999999999999997 110.508 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -64.53 -29.56 70.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.921 -0.77 . . . . 0.54000000000000004 108.921 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.402 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.8 t -69.65 -46.38 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.323 -0.992 . . . . 0.44 108.323 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -52.89 -34.55 55.38 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.076 0.465 . . . . 1.29 110.31 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 22' ' ' ARG . 6.1 mtp85 -64.59 -56.09 16.15 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.679 -0.692 . . . . 2.6600000000000001 110.619 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.541 HG22 HG11 ' B' ' 30' ' ' VAL . 97.4 t -58.73 -32.07 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.73999999999999999 110.816 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.83 -38.22 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.593 -0.73 . . . . 0.89000000000000001 112.034 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.331 -0.21 0 N-CA-C 112.879 0.696 . . . . 1.6799999999999999 112.879 -178.483 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 1.3100000000000001 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.541 HG11 HG22 ' B' ' 23' ' ' VAL . 41.9 t -122.21 113.67 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.672 -0.492 . . . . 1.22 109.672 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 161.56 21.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.4199999999999999 110.562 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -43.68 75.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 1.0700000000000001 110.568 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 20.4 ttpt -49.56 -55.83 12.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.606 -0.725 . . . . 3.2999999999999998 111.709 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.427 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -73.2 -37.27 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.18 0.437 . . . . 0.79000000000000004 112.18 -178.522 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -59.92 -45.56 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.567 -0.288 . . . . 3.21 111.033 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.31 -33.29 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.0899999999999999 110.801 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 65.7 mttm -62.41 -48.67 78.68 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.324 -0.398 . . . . 1.6599999999999999 110.561 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' B' ' 42' ' ' MET . 59.0 t -66.3 -48.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.656 -0.702 . . . . 0.42999999999999999 110.901 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.83 -45.21 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.895 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.634 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.63 -43.62 88.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.69999999999999996 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.75 -33.11 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.46999999999999997 111.676 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 61.4 mtt -62.57 -19.98 64.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.404 -0.362 . . . . 0.52000000000000002 111.078 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.95 -29.04 11.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.62 110.911 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 6.2 mm-40 -70.32 -43.42 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.822 0.344 . . . . 1.55 110.289 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.559 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -88.37 -18.35 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.98999999999999999 110.369 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 68.21 58.66 0.44 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 107.039 -1.467 . . . . 1.77 107.039 -176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.643 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -55.13 117.34 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 113.969 -1.469 . . . . 1.3300000000000001 113.091 -177.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -124.16 92.59 48.05 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 107.6 -1.259 . . . . 1.28 107.6 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.35 129.66 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.785 2.99 . . . . 0.82999999999999996 113.545 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -54.74 99.73 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.784 -0.644 . . . . 1.6399999999999999 109.979 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -54.02 -36.24 62.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.938 0.399 . . . . 4.7599999999999998 111.153 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.7 m -76.92 -54.53 6.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.759 0.651 . . . . 0.69999999999999996 112.759 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.86 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.318 0.858 . . . . 0.54000000000000004 113.318 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 8.6 mm-40 -72.41 -47.99 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.635 0.606 . . . . 1.49 112.635 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.24 -33.36 75.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.291 0.567 . . . . 2.52 109.685 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' A' ' 53' ' ' ALA . 13.9 tp -66.65 -61.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.136 -0.938 . . . . 0.57999999999999996 110.234 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.143 -0.935 . . . . 1.02 112.868 -178.43 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.883 0.285 . . . . 1.3 112.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.687 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.5 t -75.33 131.49 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.596 -0.52 . . . . 0.54000000000000004 109.596 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.82 170.55 7.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.033 -0.53 . . . . 0.40999999999999998 110.11 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.68 -15.55 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.28999999999999998 110.141 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -76.86 -35.16 57.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.48999999999999999 109.52 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.95 -38.11 85.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.951 -0.568 . . . . 1.75 110.217 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 t -69.5 -42.81 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.605 -0.725 . . . . 0.22 109.587 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.96 79.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.034 -0.985 . . . . 0.29999999999999999 111.092 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.1 -39.76 75.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.131 -0.486 . . . . 2.21 111.707 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -74.33 -34.98 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 1.49 111.473 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.9 -16.14 39.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.46000000000000002 111.676 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.18 38.05 30.68 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.885 -0.886 . . . . 0.52000000000000002 110.885 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -130.79 -165.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.305 -0.448 . . . . 0.35999999999999999 110.031 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -106.43 157.03 17.93 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.266 -0.642 . . . . 1.26 109.266 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.862 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.8 p90 -59.75 -31.11 69.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.089 0.471 . . . . 1.3200000000000001 110.024 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -66.74 -35.45 80.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.536 -0.756 . . . . 1.0900000000000001 109.6 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.9 m -65.76 -48.64 71.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.759 -0.83 . . . . 0.48999999999999999 108.759 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.9 t -58.62 -48.99 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.23 -0.895 . . . . 0.25 110.696 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 6' ' ' LEU . 22.9 t -58.59 -39.1 79.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.87 111.368 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HD2' HH11 ' A' ' 22' ' ' ARG . 59.5 mtt180 -68.34 -24.84 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 2.0299999999999998 110.561 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.647 HG13 ' HG3' ' A' ' 35' ' ' ARG . 83.9 t -81.4 -44.75 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.213 0.53 . . . . 0.44 109.864 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.9 t -62.78 -44.48 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.269 -0.878 . . . . 0.40999999999999998 110.6 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.91 -11.16 59.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.323 -0.399 . . . . 1.72 111.293 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.17 63.4 1.08 Allowed 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.71 0.631 . . . . 4.8799999999999999 110.953 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 -166.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.73 -0.668 . . . . 2.27 110.834 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -92.24 -161.87 0.87 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.962 -0.563 . . . . 1.52 110.652 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.1 m170 67.99 -60.52 0.4 Allowed 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.456 0.702 . . . . 0.76000000000000001 112.608 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 22' ' ' ARG . 97.2 t -64.58 117.36 5.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.355 0.597 . . . . 1.1599999999999999 111.239 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.86 168.86 19.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.144 -0.935 . . . . 1.3 110.964 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.87 -39.28 88.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.587 0.217 . . . . 1.0600000000000001 111.587 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -52.91 -48.21 67.39 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.987 0.422 . . . . 3.3900000000000001 111.345 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -82.86 -28.07 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.65000000000000002 111.548 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.647 ' HG3' HG13 ' A' ' 23' ' ' VAL . 13.1 ttm180 -66.31 -46.3 77.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.957 0.408 . . . . 3.3100000000000001 111.307 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 59.2 mt-10 -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.78 -0.646 . . . . 1.45 112.352 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.7 ptpt -81.79 -28.53 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.158 -0.617 . . . . 0.97999999999999998 109.93 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' THR . 76.5 t -73.01 -44.55 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.35999999999999999 109.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.94 -32.52 73.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.574 -0.739 . . . . 1.5900000000000001 110.114 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.2 -35.08 42.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 0.52000000000000002 111.049 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.15 74.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.842 0.353 . . . . 0.37 110.994 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.815 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.7 ptp -71.66 -10.72 60.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.39000000000000001 110.687 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.77 -22.68 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.53000000000000003 109.666 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 80.0 mm-40 -80.79 -51.12 8.99 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.034 -0.985 . . . . 1.3600000000000001 110.606 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.54 6.95 31.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.185 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 p30 47.27 46.73 16.8 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.779 0.8 . . . . 2.0099999999999998 111.136 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.815 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 7.7 t80 -52.15 126.8 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.642 -1.163 . . . . 1.1599999999999999 112.123 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -103.52 109.65 62.33 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 110.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.07 106.45 1.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.982 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -68.74 105.79 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.54000000000000004 111.502 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 39.0 ptt180 -73.15 -22.84 60.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.521 -0.763 . . . . 5.04 110.618 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -72.09 -40.65 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.298 0.57 . . . . 0.82999999999999996 110.114 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.538 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -68.76 -31.06 69.83 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.457 -0.792 . . . . 0.45000000000000001 109.289 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.45 -40.53 85.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.023 -0.989 . . . . 1.21 110.018 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 89.4 mt-30 -62.74 -41.91 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 2.0099999999999998 109.862 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.91 -52.3 37.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.491 -0.777 . . . . 0.51000000000000001 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.31 68.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.684 . . . . 0.48999999999999999 110.784 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.921 -0.581 . . . . 1.1399999999999999 111.953 178.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 46.3 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 110.458 -0.201 . . . . 0.78000000000000003 110.458 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.567 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.9 p -95.46 170.95 9.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.254 -0.43 . . . . 0.5 110.183 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.608 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -79.61 -6.16 56.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.884 -1.154 . . . . 0.65000000000000002 107.884 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.433 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 20.8 m-85 -82.1 -40.01 22.53 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.937 -1.483 . . . . 1.27 109.956 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.55 -39.22 93.36 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.029 -0.532 . . . . 1.3100000000000001 110.335 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.452 ' HA ' HD23 ' B' ' 45' ' ' LEU . 40.0 t -59.21 -38.75 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 110.368 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -71.78 -53.52 13.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.283 -0.871 . . . . 0.37 112.531 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.09 -31.38 67.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.507 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.429 ' CB ' HD21 ' B' ' 45' ' ' LEU . 55.1 t80 -76.41 -48.73 18.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.396 -0.365 . . . . 1.5800000000000001 110.832 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -67.52 -25.11 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.64000000000000001 111.987 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.22 6.18 61.69 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.935 -0.65 . . . . 0.58999999999999997 112.374 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 36.0 m -103.05 170.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.126 -0.324 . . . . 0.5 110.126 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.86 148.32 44.55 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.14 -1.059 . . . . 0.64000000000000001 108.14 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.726 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -61.37 -23.29 65.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.205 0.526 . . . . 1.49 110.453 -178.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.484 HE21 ' HB2' ' B' ' 18' ' ' GLN . 1.6 tt0 -69.83 -28.09 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.96999999999999997 110.339 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.475 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 29.7 m -67.52 -31.51 71.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.65 -0.87 . . . . 0.54000000000000004 108.65 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.476 HG13 ' CG1' ' B' ' 38' ' ' VAL . 16.2 t -73.98 -46.02 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.44 109.407 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.446 ' N ' HD11 ' B' ' 6' ' ' LEU . 7.8 p -58.68 -32.58 69.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.149 0.5 . . . . 1.29 110.037 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 24.5 mtm180 -74.19 -47.74 33.67 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.489 -0.778 . . . . 2.6600000000000001 110.155 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.519 HG22 HG11 ' B' ' 30' ' ' VAL . 21.8 t -57.43 -35.84 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.556 0.693 . . . . 0.73999999999999999 109.828 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.45 -33.77 46.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 111.675 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 112.888 0.699 . . . . 1.6799999999999999 112.888 -178.367 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.502 0.191 . . . . 1.3100000000000001 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.519 HG11 HG22 ' B' ' 23' ' ' VAL . 45.5 t -127.58 107.89 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.33 . . . . 1.22 110.268 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -70.76 163.53 27.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.241 -0.436 . . . . 1.4199999999999999 110.932 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 1.0700000000000001 111.535 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 39.1 mmtm -58.1 -54.07 51.16 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.403 -0.362 . . . . 3.2999999999999998 111.494 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -68.32 -35.21 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.79000000000000004 111.029 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.89 -51.47 69.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 3.21 110.173 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.866 -0.606 . . . . 2.0899999999999999 110.67 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.488 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.0 tppp? -60.34 -44.54 95.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 1.6599999999999999 110.051 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.9 t -73.22 -46.91 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.43 -0.804 . . . . 0.42999999999999999 111.06 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -36.05 78.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.327 -0.397 . . . . 1.79 111.438 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.45 -41.53 93.32 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.628 -0.508 . . . . 0.69999999999999996 109.628 178.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.46999999999999997 110.4 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.58 -23.78 64.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.034 -0.53 . . . . 0.52000000000000002 110.413 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -29.27 13.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.052 -0.522 . . . . 0.62 110.763 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 14.8 mm-40 -70.77 -52.24 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.129 0.49 . . . . 1.55 110.392 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.572 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -80.34 -19.79 45.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.866 -0.606 . . . . 0.98999999999999999 110.075 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.454 ' O ' HG12 ' B' ' 48' ' ' ILE . 14.3 t-20 69.12 57.94 0.37 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.263 -1.384 . . . . 1.77 107.263 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.761 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -52.51 121.37 6.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.794 -1.548 . . . . 1.3300000000000001 112.741 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.0 mm -122.33 96.23 46.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 114.892 -1.049 . . . . 1.28 108.622 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -35.2 123.05 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.178 3.252 . . . . 0.82999999999999996 113.929 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.567 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.6 m-20 -55.49 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.49 -0.777 . . . . 1.6399999999999999 111.191 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -58.47 -40.07 81.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.807 0.299 . . . . 4.7599999999999998 111.807 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.1 m -73.75 -58.38 3.35 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.752 0.649 . . . . 0.69999999999999996 112.752 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -37.8 83.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.467 0.914 . . . . 0.54000000000000004 113.467 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 47.1 mt-30 -69.46 -51.21 38.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.611 -0.436 . . . . 1.49 111.432 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -55.91 -36.93 68.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.411 0.624 . . . . 2.52 109.856 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.8 tp -67.65 -58.03 5.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.81 -1.086 . . . . 0.57999999999999996 110.89 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 114.022 1.119 . . . . 1.02 114.022 -177.413 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo . . . . . 0 C--O 1.235 0.359 0 N-CA-C 111.091 -0.388 . . . . 1.3 111.091 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 92.6 t -80.14 134.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.995 -0.548 . . . . 0.54000000000000004 110.25 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.43 176.58 5.07 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.731 -0.668 . . . . 0.40999999999999998 110.678 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.971 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -68.16 -15.22 63.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.28999999999999998 110.391 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -76.41 -35.73 58.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.228 -0.656 . . . . 0.48999999999999999 109.228 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.0 m-20 -66.12 -43.68 86.44 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.738 -0.665 . . . . 1.75 110.017 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.24 -39.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.425 -0.807 . . . . 0.22 110.0 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.37 92.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.289 -0.869 . . . . 0.29999999999999999 110.406 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.87 -25.27 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 2.21 111.118 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.488 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 5.8 t80 -79.15 -38.68 35.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 1.49 110.749 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.91 -18.78 25.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.515 -0.311 . . . . 0.46000000000000002 111.659 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 35.26 12.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.52000000000000002 111.846 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.1 -166.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.486 -0.357 . . . . 0.35999999999999999 110.695 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -100.44 156.72 17.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.26 -0.644 . . . . 1.26 109.26 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.971 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 50.2 p90 -59.79 -31.92 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.284 0.564 . . . . 1.3200000000000001 110.421 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -38.49 87.76 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.632 -0.713 . . . . 1.0900000000000001 110.311 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.684 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.9 m -65.68 -41.17 92.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.519 -0.549 . . . . 0.48999999999999999 109.519 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.9 t -58.93 -52.61 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.806 -0.634 . . . . 0.25 110.389 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.0 t -60.49 -35.42 75.87 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.87 110.529 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.803 ' HB3' HG22 ' A' ' 30' ' ' VAL . 22.5 mtm180 -64.75 -31.69 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 2.0299999999999998 110.596 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.0 t -81.04 -43.25 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.44 110.06 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG21 ' HE2' ' A' ' 47' ' ' TYR . 59.8 t -60.15 -42.51 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.40999999999999998 110.624 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -83.64 -19.0 36.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 1.72 111.294 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 57.97 50.3 10.47 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.25 0.548 . . . . 4.8799999999999999 110.28 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -159.06 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.257 -0.883 . . . . 2.27 111.188 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -83.42 170.46 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 1.52 110.28 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.33 31.33 19.31 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.194 0.598 . . . . 0.76000000000000001 111.285 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 22' ' ' ARG . 5.0 t -120.66 103.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 1.1599999999999999 111.4 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -74.99 155.82 36.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.847 -0.615 . . . . 1.3 110.261 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -68.86 -27.06 65.48 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.791 -0.448 . . . . 1.0600000000000001 109.791 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -55.41 -50.58 69.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.375 -0.829 . . . . 3.3900000000000001 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.62 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -81.61 -33.35 31.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 110.723 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -52.96 -47.3 68.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 3.3100000000000001 111.444 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 36.8 mt-10 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.126 0.787 . . . . 1.45 113.126 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.62 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.2 ptpt -85.84 -28.3 24.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.439 -0.505 . . . . 0.97999999999999998 110.999 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.5 t -77.58 -42.36 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.35999999999999999 110.101 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 40.2 mt-10 -64.48 -30.09 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.257 0.551 . . . . 1.5900000000000001 109.661 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.19 -41.23 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 0.52000000000000002 110.679 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.87 -44.39 81.07 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.37 111.364 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.0 ptp -66.49 -13.68 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.39000000000000001 111.779 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.66 -12.03 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.273 0.559 . . . . 0.53000000000000003 110.204 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 81.7 mm-40 -86.63 -61.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.485 -0.78 . . . . 1.3600000000000001 111.392 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.623 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -78.88 -1.84 37.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.765 -0.652 . . . . 1.8799999999999999 112.644 -179.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 67.42 65.63 0.4 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.319 0.58 . . . . 2.0099999999999998 110.747 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.6 t80 -70.35 134.39 47.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.681 -0.69 . . . . 1.1599999999999999 111.14 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -109.47 105.58 57.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.772 -0.649 . . . . 1.1599999999999999 110.445 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.13 104.24 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.434 2.089 . . . . 0.55000000000000004 110.322 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -72.36 101.86 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.101 -0.5 . . . . 0.54000000000000004 111.376 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.24 -18.07 60.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.815 -0.63 . . . . 5.04 110.401 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.3 OUTLIER -74.45 -40.93 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.254 -0.647 . . . . 0.82999999999999996 109.254 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -68.01 -30.2 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.45000000000000001 109.193 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -69.32 -31.82 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.189 -0.914 . . . . 1.21 109.495 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 55' ' ' GLN . 12.4 mt-30 -77.07 -8.26 57.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 2.0099999999999998 109.938 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.85 -42.93 5.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.51000000000000001 110.813 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.05 12.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.595 . . . . 0.48999999999999999 112.122 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.819 -0.705 . . . . 1.1399999999999999 113.315 -178.486 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.66 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.1 t . . . . . 0 CA--C 1.517 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.78000000000000003 110.124 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.501 HG22 HD21 ' B' ' 50' ' ' ASN . 18.7 p -96.65 172.67 7.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.697 -0.683 . . . . 0.5 110.646 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -79.87 -8.32 59.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.64 -1.244 . . . . 0.65000000000000002 107.64 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.46 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 24.4 m-85 -79.34 -39.04 33.7 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.612 -1.631 . . . . 1.27 109.735 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.25 -40.15 93.62 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.416 -0.811 . . . . 1.3100000000000001 110.354 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.41 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.4 t -60.7 -38.34 78.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.615 -0.721 . . . . 0.28000000000000003 110.504 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.31 -45.63 75.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.493 -0.776 . . . . 0.37 111.659 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.15 -43.91 95.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.744 -0.662 . . . . 2.3399999999999999 111.421 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.53 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.7 t80 -65.68 -41.89 91.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 1.5800000000000001 111.616 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.51 -19.21 59.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.64000000000000001 111.812 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.27 21.46 54.67 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.025 -0.607 . . . . 0.58999999999999997 112.896 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.48 179.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 110.261 -0.274 . . . . 0.5 110.261 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -78.97 158.21 28.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.444 -0.947 . . . . 0.64000000000000001 108.444 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.646 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -65.12 -20.04 66.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.088 0.47 . . . . 1.49 110.798 -179.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 10.6 mt-30 -81.81 -20.68 38.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.96999999999999997 110.514 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 23' ' ' VAL . 7.9 m -64.16 -33.9 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.788 -1.189 . . . . 0.54000000000000004 107.788 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.436 HG13 ' CG1' ' B' ' 38' ' ' VAL . 39.8 t -76.99 -39.97 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 114.181 -1.372 . . . . 0.44 108.65 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 6.7 t -55.89 -40.06 72.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.47 -0.786 . . . . 1.29 110.619 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 37.9 mmt180 -65.45 -41.72 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.574 . . . . 2.6600000000000001 110.665 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.699 HG22 HG11 ' B' ' 30' ' ' VAL . 46.1 t -70.55 -39.21 75.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.008 -0.542 . . . . 0.73999999999999999 110.407 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.416 HG21 HD12 ' B' ' 6' ' ' LEU . 9.8 t -65.66 -39.96 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.697 -0.683 . . . . 0.89000000000000001 110.807 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.912 0.386 . . . . 1.6799999999999999 110.059 179.552 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.841 0.353 . . . . 1.3100000000000001 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.699 HG11 HG22 ' B' ' 23' ' ' VAL . 6.4 t -127.75 124.68 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.661 -0.496 . . . . 1.22 109.661 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.81 164.44 21.65 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.883 -0.414 . . . . 1.4199999999999999 109.883 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.65 92.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.399 . . . . 1.0700000000000001 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -60.78 -45.41 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.689 -0.687 . . . . 3.2999999999999998 111.672 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -43.41 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.086 0.402 . . . . 0.79000000000000004 112.086 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.68 -38.64 82.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.842 0.353 . . . . 3.21 110.703 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.16 -41.75 63.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 2.0899999999999999 110.602 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.4 ttpt -65.5 -44.48 86.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 1.6599999999999999 111.65 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.436 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.5 t -64.74 -51.61 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.376 . . . . 0.42999999999999999 111.774 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.37 -32.84 73.7 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.199 -0.2 . . . . 1.79 111.395 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.35 -36.17 66.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.69999999999999996 110.427 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.94 -29.07 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.46999999999999997 110.643 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.62 -21.75 63.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.718 -0.674 . . . . 0.52000000000000002 111.157 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.43 18.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.62 110.961 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.82 -49.03 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 1.55 110.902 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 1.1 mm? -83.36 -14.55 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.98999999999999999 110.322 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.8 t-20 68.06 55.57 0.55 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.308 -1.367 . . . . 1.77 107.308 -176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.66 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -57.01 116.89 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.015 -1.448 . . . . 1.3300000000000001 112.655 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 46' ' ' ASN . 66.1 mt -126.27 94.08 41.86 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 114.402 -1.272 . . . . 1.28 107.84 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -32.03 127.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 124.697 3.598 . . . . 0.82999999999999996 114.973 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -52.56 99.55 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.086 0.866 . . . . 1.6399999999999999 110.095 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.88 -28.99 69.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.939 0.399 . . . . 4.7599999999999998 111.252 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.9 m -83.04 -58.42 2.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.086 0.402 . . . . 0.69999999999999996 112.086 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.05 75.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 0.54000000000000004 113.645 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 69.4 mt-30 -74.51 -40.9 61.48 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.35 0.523 . . . . 1.49 112.275 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.02 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.166 -0.679 . . . . 2.52 109.166 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 53' ' ' ALA . 13.1 tp -69.83 -68.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.893 -1.048 . . . . 0.57999999999999996 110.135 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 1.02 113.741 -178.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 120.968 0.32 . . . . 1.3 111.7 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 55' ' ' GLN . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' B' ' 56' ' ' LEU . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 121.081 0.467 . . . . 0.78000000000000003 109.781 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.45 HG22 HD21 ' B' ' 50' ' ' ASN . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.444 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' B' ' 50' ' ' ASN . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' A' ' 56' ' ' LEU . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 CA-C-O 120.915 0.298 . . . . 1.3 112.053 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 21.4 t -74.95 134.64 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.983 -0.747 . . . . 0.54000000000000004 108.983 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.69 170.37 7.92 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.389 -0.369 . . . . 0.40999999999999998 110.651 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.66 -15.98 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.28999999999999998 110.201 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 68.0 m-85 -75.6 -41.15 55.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.066 -0.716 . . . . 0.48999999999999999 109.066 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.13 -39.36 89.74 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.033 -0.53 . . . . 1.75 109.978 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.47 -43.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.362 -0.836 . . . . 0.22 110.054 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.7 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.235 -0.893 . . . . 0.29999999999999999 110.932 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 49.0 mt-10 -70.73 -35.39 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.138 -0.483 . . . . 2.21 111.268 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -78.99 -36.98 40.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 1.49 111.608 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.35 -12.17 52.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.46000000000000002 111.036 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.11 39.3 53.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.068 -0.813 . . . . 0.52000000000000002 111.068 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 13' ' ' ALA . 22.1 m -128.64 -173.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.687 0.279 . . . . 0.35999999999999999 110.273 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -94.08 151.21 19.67 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.254 -0.647 . . . . 1.26 109.254 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.827 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 52.2 p90 -57.61 -31.87 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 1.3200000000000001 110.664 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -33.93 76.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 1.0900000000000001 110.593 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 75.9 m -66.53 -41.39 88.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.152 -0.684 . . . . 0.48999999999999999 109.152 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 95.8 t -61.04 -49.39 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.525 -0.761 . . . . 0.25 110.331 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -59.26 -35.45 73.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.992 -0.549 . . . . 0.87 110.82 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.598 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 55.3 mtt180 -65.03 -28.11 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 2.0299999999999998 110.86 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' A' ' 30' ' ' VAL . 58.6 t -85.58 -47.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.107 0.479 . . . . 0.44 110.689 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.611 HG21 ' HE2' ' A' ' 47' ' ' TYR . 54.0 t -57.19 -49.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.264 -0.88 . . . . 0.40999999999999998 112.815 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -104.04 3.73 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.638 0.607 . . . . 1.72 112.638 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 57.96 57.72 3.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.406 0.622 . . . . 4.8799999999999999 110.429 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -89.14 20.14 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 2.27 111.562 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m 64.66 -171.52 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.943 -0.571 . . . . 1.52 110.775 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.598 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 2.3 m170 61.21 30.98 19.55 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.106 0.41 . . . . 0.76000000000000001 112.106 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -131.04 122.38 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.228 0.537 . . . . 1.1599999999999999 111.056 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 p -84.27 166.45 17.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.426 -0.806 . . . . 1.3 110.118 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.79 -51.25 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.872 0.693 . . . . 1.0600000000000001 112.872 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -53.41 -49.54 67.08 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.063 0.394 . . . . 3.3900000000000001 112.063 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.98 -40.74 75.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.161 -0.472 . . . . 0.65000000000000002 111.931 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 35' ' ' ARG . 29.3 ttp-105 -59.97 -43.9 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 3.3100000000000001 110.994 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.0 -40.1 72.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 1.45 112.288 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.9 ptpt -69.43 -31.16 69.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.818 0.342 . . . . 0.97999999999999998 111.143 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 74.4 t -76.25 -40.5 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.334 -0.394 . . . . 0.35999999999999999 110.082 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.06 -29.2 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.809 -0.632 . . . . 1.5900000000000001 110.009 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.86 -40.61 47.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 110.373 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.38 86.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.049 -0.523 . . . . 0.37 111.412 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.7 ptp -70.77 -10.59 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.443 -0.344 . . . . 0.39000000000000001 111.206 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.73 17.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.198 0.523 . . . . 0.53000000000000003 110.099 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -71.55 -50.21 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.778 0.799 . . . . 1.3600000000000001 110.612 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -7.15 58.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.418 -1.264 . . . . 1.8799999999999999 111.18 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 59.87 62.25 1.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.027 0.917 . . . . 2.0099999999999998 109.635 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.769 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.534 -1.212 . . . . 1.1599999999999999 111.267 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.68 112.44 53.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.451 -0.795 . . . . 1.1599999999999999 110.276 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.88 139.61 88.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.394 2.063 . . . . 0.55000000000000004 112.062 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -99.67 110.11 22.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.196 0.522 . . . . 0.54000000000000004 110.765 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -77.71 -23.71 49.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 5.04 111.187 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -36.05 62.52 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.42 -0.585 . . . . 0.82999999999999996 109.42 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.1 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.432 -0.804 . . . . 0.45000000000000001 109.048 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.83 -38.64 86.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.108 -0.951 . . . . 1.21 109.66 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.83 -32.23 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 2.0099999999999998 110.243 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -78.21 -50.13 12.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.655 -0.702 . . . . 0.51000000000000001 110.616 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.93 96.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.534 -0.757 . . . . 0.48999999999999999 111.818 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.99 -0.624 . . . . 1.1399999999999999 112.073 179.749 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 29.8 t . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.201 -0.666 . . . . 0.78000000000000003 109.201 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 9' ' ' VAL . 26.8 p -90.61 173.27 8.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.855 -0.611 . . . . 0.5 110.515 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.556 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -12.47 59.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.496 -1.298 . . . . 0.65000000000000002 107.496 178.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.617 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 19.3 m-85 -77.13 -47.04 21.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.872 -1.513 . . . . 1.27 108.724 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -60.61 -35.78 76.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.61 -0.723 . . . . 1.3100000000000001 110.31 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 5' ' ' THR . 94.5 t -63.98 -40.9 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.346 0.593 . . . . 0.28000000000000003 110.091 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.569 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.36 -46.81 69.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.463 -0.79 . . . . 0.37 111.621 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.617 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.1 mt-10 -61.98 -35.87 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 2.3399999999999999 111.053 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.492 ' CD1' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -67.69 -40.14 84.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 1.5800000000000001 110.874 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.517 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -81.14 -10.52 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.64000000000000001 111.825 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.38 56.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.077 -0.582 . . . . 0.58999999999999997 112.463 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.99 168.04 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.062 -0.347 . . . . 0.5 110.062 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.3 p -68.3 147.74 51.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.423 -0.954 . . . . 0.64000000000000001 108.423 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -59.84 -25.97 65.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 1.49 110.581 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.29 -20.33 60.84 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.415 -0.357 . . . . 0.96999999999999997 110.704 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.525 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 50.6 m -65.65 -36.66 84.31 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.135 -1.061 . . . . 0.54000000000000004 108.135 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.17 -44.9 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.946 -1.025 . . . . 0.44 108.708 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -55.37 -35.68 65.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.013 -0.54 . . . . 1.29 110.889 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.764 ' HD2' ' HB2' ' B' ' 29' ' ' HIS . 47.3 mtm-85 -68.64 -41.11 79.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 2.6600000000000001 110.508 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 19' ' ' THR . 48.4 t -72.69 -39.89 60.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.271 0.558 . . . . 0.73999999999999999 110.181 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.02 -34.16 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 0.89000000000000001 111.059 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 1.6799999999999999 111.049 -179.522 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.764 ' HB2' ' HD2' ' B' ' 22' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.043 0.449 . . . . 1.3100000000000001 110.182 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.456 HG12 ' HB ' ' B' ' 34' ' ' THR . 0.0 OUTLIER -136.66 130.79 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 1.22 109.833 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 37.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.679 0.992 . . . . 1.4199999999999999 113.679 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.11 -57.64 0.47 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.87 0.868 . . . . 1.0700000000000001 112.033 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -56.94 -38.55 73.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 3.2999999999999998 110.148 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.467 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -62.14 -44.76 95.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.79000000000000004 110.501 179.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -59.87 -50.7 72.76 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.192 0.52 . . . . 3.21 110.31 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.11 -41.07 87.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.124 -0.944 . . . . 2.0899999999999999 111.608 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.517 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.4 ttpt -70.24 -40.09 74.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.738 0.304 . . . . 1.6599999999999999 110.813 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 34' ' ' THR . 55.7 t -66.93 -47.93 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.42999999999999999 110.185 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.24 -32.42 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 1.79 110.347 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.38 -41.55 80.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.681 -0.489 . . . . 0.69999999999999996 109.681 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.61 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.46999999999999997 110.601 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.81 -22.76 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.539 -0.755 . . . . 0.52000000000000002 110.708 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.68 -28.14 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.358 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 78.5 mm-40 -68.41 -52.24 35.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.353 0.597 . . . . 1.55 110.708 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -90.24 -6.02 55.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.98999999999999999 111.714 -178.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 61.37 67.16 0.8 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.407 -0.961 . . . . 1.77 108.407 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.9 t80 -58.16 110.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.516 -1.22 . . . . 1.3300000000000001 112.524 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -109.64 95.95 21.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.965 -1.124 . . . . 1.28 107.965 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -35.41 130.06 0.28 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.165 3.243 . . . . 0.82999999999999996 114.116 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.684 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.1 m120 -44.98 108.83 0.13 Allowed 'General case' 0 C--O 1.222 -0.351 0 O-C-N 124.21 0.943 . . . . 1.6399999999999999 110.443 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -72.0 -38.93 69.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.689 0.28 . . . . 4.7599999999999998 111.225 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 20.7 m -83.45 -53.66 5.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.69999999999999996 112.046 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' B' ' 50' ' ' ASN . . . -67.65 -41.27 84.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.707 1.003 . . . . 0.54000000000000004 113.707 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.684 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 68.8 mt-30 -73.44 -31.9 64.08 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.373 -0.531 . . . . 1.49 111.43 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.44 -28.83 64.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.714 0.769 . . . . 2.52 109.176 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 56' ' ' LEU . 12.1 tp -75.05 -67.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.472 -1.24 . . . . 0.57999999999999996 110.193 178.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.041 -0.981 . . . . 1.02 112.505 -178.539 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.127 0.386 . . . . 1.3 111.592 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 34.1 t -74.74 142.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.54000000000000004 110.091 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.26 168.08 9.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.413 -0.358 . . . . 0.40999999999999998 110.494 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -65.32 -18.62 65.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 0.28999999999999998 110.672 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -76.51 -34.1 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.508 -0.553 . . . . 0.48999999999999999 109.508 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -36.25 73.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.76 -0.655 . . . . 1.75 109.642 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.58 -44.67 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.3 -0.864 . . . . 0.22 110.119 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.25 97.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.533 -0.758 . . . . 0.29999999999999999 111.123 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -66.71 -30.79 71.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 2.21 111.535 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -81.14 -33.02 33.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 1.49 111.108 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.41 -19.35 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.46000000000000002 110.956 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.6 25.63 35.06 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.909 -0.876 . . . . 0.52000000000000002 110.909 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.8 m -121.65 -167.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.995 -0.372 . . . . 0.35999999999999999 109.995 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 m -110.01 155.24 22.07 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.356 -0.609 . . . . 1.26 109.356 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.707 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 46.0 p90 -55.17 -31.04 61.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.361 . . . . 1.3200000000000001 111.144 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.548 HE21 ' CZ ' ' A' ' 22' ' ' ARG . 52.7 tp60 -64.1 -33.98 77.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0900000000000001 109.794 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 60.9 m -75.67 -37.17 59.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.48999999999999999 109.837 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' HA ' HG11 ' A' ' 38' ' ' VAL . 80.4 t -60.83 -55.17 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.849 -0.614 . . . . 0.25 110.525 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -63.46 -28.74 70.17 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.849 0.357 . . . . 0.87 110.478 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.79 ' HG3' HG22 ' A' ' 30' ' ' VAL . 19.1 tpp180 -61.46 -33.73 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.275 -0.639 . . . . 2.0299999999999998 109.275 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.68 HG13 ' HG3' ' A' ' 35' ' ' ARG . 85.2 t -86.4 -46.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.172 -0.922 . . . . 0.44 110.452 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' VAL . 73.6 t -56.95 -42.38 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 115.886 -0.597 . . . . 0.40999999999999998 111.664 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.51 -15.84 55.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 1.72 111.1 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 57.76 66.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.211 0.529 . . . . 4.8799999999999999 110.559 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.67 -152.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 2.27 110.873 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.14 -177.51 4.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.603 -0.517 . . . . 1.52 109.603 179.081 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 28' ' ' SER . 1.5 m170 61.71 33.12 18.15 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.157 0.429 . . . . 0.76000000000000001 112.157 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.79 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -122.03 120.93 62.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.466 -0.494 . . . . 1.1599999999999999 111.843 -179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.5 p -93.91 149.55 21.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.633 -0.712 . . . . 1.3 109.676 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.84 -44.51 82.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.106 0.254 . . . . 1.0600000000000001 111.549 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -50.65 -49.8 56.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 3.3900000000000001 112.414 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -79.49 -34.2 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.647 -0.421 . . . . 0.65000000000000002 111.749 -179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.68 ' HG3' HG13 ' A' ' 23' ' ' VAL . 44.3 ttp180 -61.79 -36.68 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 3.3100000000000001 110.454 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 43.7 mt-10 -73.35 -25.9 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.494 0.553 . . . . 1.45 112.494 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.7 ptpt -91.57 -28.17 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.604 -0.438 . . . . 0.97999999999999998 111.31 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 20' ' ' VAL . 78.6 t -72.16 -43.73 65.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.532 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 22.8 mt-10 -69.03 -23.35 64.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.179 0.514 . . . . 1.5900000000000001 110.258 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.81 -41.61 29.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.594 -0.73 . . . . 0.52000000000000002 110.274 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.73 -40.66 88.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 0.37 111.418 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.713 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -71.69 -10.32 59.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.39000000000000001 111.156 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.34 -21.19 19.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.53000000000000003 110.122 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 18.1 mm-40 -81.35 -51.07 8.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.913 0.863 . . . . 1.3600000000000001 110.965 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -82.57 -8.51 59.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.41 -1.268 . . . . 1.8799999999999999 111.621 -178.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.97 61.93 0.91 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.678 0.751 . . . . 2.0099999999999998 109.247 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.713 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 17.9 t80 -76.33 130.67 38.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 111.732 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -117.33 107.25 45.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 1.1599999999999999 109.751 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.16 121.66 9.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.55000000000000004 112.251 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -74.27 113.75 11.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.196 -0.456 . . . . 0.54000000000000004 111.138 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 16.7 mmt180 -77.53 -27.93 51.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 5.04 111.615 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.34 -39.77 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.389 0.614 . . . . 0.82999999999999996 109.569 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -67.75 -33.73 75.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.358 -0.837 . . . . 0.45000000000000001 109.499 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.44 -36.49 74.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.466 -0.788 . . . . 1.21 109.444 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -79.04 5.44 11.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.4 -0.818 . . . . 2.0099999999999998 110.693 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.2 tp -116.55 -48.43 2.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.401 -0.818 . . . . 0.51000000000000001 109.626 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -51.02 62.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.07 -0.968 . . . . 0.48999999999999999 112.373 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.337 -0.935 . . . . 1.1399999999999999 112.98 -179.142 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.645 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 92.1 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 121.308 0.575 . . . . 0.78000000000000003 110.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.9 p -99.45 177.73 5.09 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.545 -0.752 . . . . 0.5 110.499 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.562 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -78.12 -11.6 59.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.847 -1.168 . . . . 0.65000000000000002 107.847 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.543 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 26.1 m-85 -75.16 -40.63 59.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.797 -1.547 . . . . 1.27 110.112 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.44 ' HB2' HG13 ' B' ' 4' ' ' VAL . 21.8 m-20 -64.87 -40.11 94.62 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 1.3100000000000001 110.4 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.467 ' HA ' HD23 ' B' ' 45' ' ' LEU . 52.4 t -60.52 -39.82 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 0.28000000000000003 110.676 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -70.87 -45.53 64.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.475 -0.784 . . . . 0.37 111.502 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -42.57 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 2.3399999999999999 111.258 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.62 ' CB ' HD21 ' B' ' 45' ' ' LEU . 76.5 t80 -66.69 -41.67 87.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 1.5800000000000001 111.091 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -74.57 -13.23 60.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.963 -0.562 . . . . 0.64000000000000001 111.81 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.99 77.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.58999999999999997 112.372 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' B' ' 13' ' ' ALA . 26.9 m -114.37 173.49 3.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 110.374 -0.232 . . . . 0.5 110.374 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 86.5 p -72.36 155.73 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.744 -0.835 . . . . 0.64000000000000001 108.744 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.562 ' HD2' ' CD2' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -67.05 -18.43 65.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.503 0.668 . . . . 1.49 109.875 -179.258 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.564 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 21.5 mt-30 -81.33 -19.88 41.88 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.675 -0.693 . . . . 0.96999999999999997 110.16 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -66.74 -36.03 81.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.978 -1.119 . . . . 0.54000000000000004 107.978 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.417 HG13 ' CG1' ' B' ' 38' ' ' VAL . 63.9 t -76.09 -38.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.494 -1.23 . . . . 0.44 108.946 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.2 t -55.18 -35.54 64.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.276 -0.875 . . . . 1.29 110.415 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HD3' ' HB2' ' B' ' 29' ' ' HIS . 24.8 mtt180 -68.69 -48.22 64.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 110.643 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.52 -36.4 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.41 0.624 . . . . 0.73999999999999999 110.08 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.517 HG21 HD12 ' B' ' 6' ' ' LEU . 13.1 t -70.64 -35.02 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 110.721 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 1.6799999999999999 111.061 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.46 ' HB2' ' HD3' ' B' ' 22' ' ' ARG . 2.5 m170 . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 120.514 0.197 . . . . 1.3100000000000001 111.447 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 122.71 56.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.79 0.328 . . . . 1.22 110.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 158.41 30.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.876 -0.602 . . . . 1.4199999999999999 110.206 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -45.42 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.854 0.316 . . . . 1.0700000000000001 111.854 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.93 -42.23 97.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.542 0.571 . . . . 3.2999999999999998 112.542 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.429 ' O ' HG23 ' B' ' 38' ' ' VAL . 12.3 p -79.89 -42.42 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.757 -0.377 . . . . 0.79000000000000004 111.793 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -56.44 -50.56 71.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 3.21 111.286 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -71.42 -26.6 62.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 2.0899999999999999 111.21 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.48 -38.94 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 1.6599999999999999 110.117 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 34' ' ' THR . 51.5 t -60.61 -49.77 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.42999999999999999 110.527 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.73 -36.03 79.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.595 -0.73 . . . . 1.79 110.802 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.44 -40.56 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.69999999999999996 110.781 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.42 72.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.912 -0.585 . . . . 0.46999999999999997 110.683 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.57 -25.71 64.8 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.87 -0.605 . . . . 0.52000000000000002 110.667 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.37 -21.0 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.62 111.253 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.81 -46.52 18.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.55 110.586 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' B' ' 12' ' ' TYR . 1.0 OUTLIER -81.98 -16.21 51.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.98999999999999999 110.422 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.494 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.5 t-20 68.82 61.29 0.34 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.074 -1.454 . . . . 1.77 107.074 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.645 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.3 t80 -55.0 108.37 0.4 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.25 -1.341 . . . . 1.3300000000000001 112.554 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.588 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 35.1 mm -113.64 89.54 15.92 Favored Pre-proline 0 N--CA 1.453 -0.309 0 N-CA-C 107.278 -1.379 . . . . 1.28 107.278 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 11.7 Cg_exo -27.24 126.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 1 C-N-CA 125.412 4.075 . . . . 0.82999999999999996 115.607 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -74.38 68.4 1.54 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.341 -0.845 . . . . 1.6399999999999999 108.771 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -45.6 -35.36 3.96 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 114.041 1.126 . . . . 4.7599999999999998 114.041 -177.252 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 90.6 m -62.8 -49.02 76.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.648 -0.421 . . . . 0.69999999999999996 111.601 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.41 -27.5 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.54000000000000004 111.566 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 60.0 mt-30 -75.45 -35.68 60.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.784 0.29 . . . . 1.49 111.784 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -69.16 -39.72 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.182 -1.044 . . . . 2.52 108.182 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 53' ' ' ALA . 10.6 tp -65.12 -64.98 0.73 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.902 -1.499 . . . . 0.57999999999999996 110.888 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.02 113.308 -177.692 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 CA-C-O 121.183 0.41 . . . . 1.3 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.703 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 20.2 t -76.34 132.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.71 -0.677 . . . . 0.54000000000000004 109.933 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.8 171.18 7.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.932 -0.576 . . . . 0.40999999999999998 110.324 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.933 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -66.47 -15.72 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.28999999999999998 110.44 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -74.54 -36.13 63.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.986 -0.746 . . . . 0.48999999999999999 108.986 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.52 -40.35 85.12 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.401 -0.818 . . . . 1.75 110.035 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 t -66.73 -41.73 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.492 -0.777 . . . . 0.22 109.809 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.27 88.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.239 -0.891 . . . . 0.29999999999999999 110.719 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.83 -29.45 63.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.89 0.376 . . . . 2.21 111.216 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.9 t80 -76.85 -36.18 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 1.49 111.147 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.47 -13.98 31.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.873 0.368 . . . . 0.46000000000000002 111.412 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.39 33.75 38.38 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.359 -0.696 . . . . 0.52000000000000002 111.359 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -123.71 -164.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.806 -0.442 . . . . 0.35999999999999999 109.806 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 p -104.53 154.94 19.27 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.534 -0.543 . . . . 1.26 109.534 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.933 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.1 p90 -62.45 -27.68 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.168 0.509 . . . . 1.3200000000000001 109.676 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.3 tp60 -65.74 -41.98 91.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.863 -0.791 . . . . 1.0900000000000001 108.863 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.5 m -61.91 -45.26 94.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.7 -0.682 . . . . 0.48999999999999999 109.343 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 68.9 t -56.85 -49.17 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.79 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.6 t -62.31 -34.66 77.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 0.87 110.5 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 89.5 mtt-85 -69.49 -23.92 63.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 2.0299999999999998 110.449 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 35' ' ' ARG . 94.2 t -85.27 -51.53 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.186 0.517 . . . . 0.44 110.224 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' VAL . 48.8 t -60.37 -46.93 94.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.40999999999999998 112.45 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -100.08 1.37 42.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 54.44 61.14 3.14 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.321 0.581 . . . . 4.8799999999999999 109.866 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -92.58 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.593 -0.73 . . . . 2.27 111.898 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 5.0 t 60.76 -174.6 0.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.219 -0.446 . . . . 1.52 110.632 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.603 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 59.68 33.57 21.93 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.296 0.239 . . . . 0.76000000000000001 111.098 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -128.23 130.45 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.928 0.394 . . . . 1.1599999999999999 111.191 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -101.21 155.8 17.81 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.577 -0.738 . . . . 1.3 109.243 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.5 -34.38 70.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 1.0600000000000001 111.278 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 74.3 tttt -54.9 -44.69 74.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.84 -0.618 . . . . 3.3900000000000001 111.795 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -93.51 -34.43 13.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.587 0.588 . . . . 0.65000000000000002 112.587 -179.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.655 ' HG3' HG13 ' A' ' 23' ' ' VAL . 56.5 ttt180 -58.41 -43.3 88.58 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.029 0.381 . . . . 3.3100000000000001 112.029 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 32.8 mt-10 -70.36 -27.19 64.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.649 0.611 . . . . 1.45 112.649 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 34' ' ' THR . 16.3 ptpt -81.53 -28.76 33.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.246 -0.582 . . . . 0.97999999999999998 110.111 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 84.5 t -73.79 -42.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.495 . . . . 0.35999999999999999 109.72 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 1.5900000000000001 109.817 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.37 -43.51 27.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.52000000000000002 110.873 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -60.61 -44.14 96.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.37 111.79 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.709 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.5 ptp -68.8 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.39000000000000001 111.462 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.61 -10.9 30.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.155 0.502 . . . . 0.53000000000000003 109.769 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.1 mm-40 -87.25 -57.11 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 1.3600000000000001 111.186 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -86.39 3.21 44.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.429 -0.805 . . . . 1.8799999999999999 112.536 -179.093 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m120 62.16 66.84 0.77 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.585 0.553 . . . . 2.0099999999999998 111.481 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.2 t80 -78.06 136.76 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.978 -0.556 . . . . 1.1599999999999999 111.212 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.92 113.74 32.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 1.1599999999999999 110.452 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.02 122.09 10.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 0.55000000000000004 111.469 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -80.0 108.46 13.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.54000000000000004 112.049 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.543 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -72.58 -22.77 60.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 5.04 110.892 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.84 -42.65 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.495 0.664 . . . . 0.82999999999999996 109.714 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -72.03 -30.12 64.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.248 -0.887 . . . . 0.45000000000000001 109.82 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -65.48 -40.35 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.393 -0.821 . . . . 1.21 110.177 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.69 -33.71 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.8 -0.636 . . . . 2.0099999999999998 110.486 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.94 -49.65 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.51000000000000001 111.173 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.9 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.48999999999999999 110.768 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 111.158 -0.777 . . . . 1.1399999999999999 111.158 178.72 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 48.4 t . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.261 -0.274 . . . . 0.78000000000000003 110.261 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.579 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 16.2 p -93.0 166.86 12.16 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.373 -0.603 . . . . 0.5 109.373 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.614 HD23 ' OH ' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -81.1 -5.81 58.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.235 -1.024 . . . . 0.65000000000000002 108.235 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 m-85 -81.18 -31.06 34.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.225 -1.352 . . . . 1.27 109.263 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.54 -32.01 69.28 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.362 -0.836 . . . . 1.3100000000000001 109.119 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' B' ' 45' ' ' LEU . 46.7 t -64.67 -42.7 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.979 -1.009 . . . . 0.28000000000000003 110.362 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -65.59 -50.54 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.37 111.586 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 13.3 mm-40 -62.64 -37.95 88.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 2.3399999999999999 111.845 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.523 ' CB ' HD21 ' B' ' 45' ' ' LEU . 89.9 t80 -66.88 -49.2 66.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.693 0.283 . . . . 1.5800000000000001 111.017 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.63 -29.4 70.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.342 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.07 59.85 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.589 -0.815 . . . . 0.58999999999999997 111.778 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.93 164.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.042 -0.355 . . . . 0.5 110.042 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -67.97 149.15 50.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.741 -0.837 . . . . 0.64000000000000001 108.741 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.614 ' OH ' HD23 ' B' ' 6' ' ' LEU . 64.9 t80 -59.18 -30.89 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 1.49 110.831 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.45 -34.09 77.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.96999999999999997 110.449 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.0 m -59.8 -33.87 72.29 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.637 0.732 . . . . 0.54000000000000004 109.064 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' B' ' 10' ' ' ALA . 62.6 t -71.76 -52.29 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.293 -0.867 . . . . 0.44 108.946 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.5 t -48.79 -34.5 12.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.818 -0.628 . . . . 1.29 111.307 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 41.3 mmt180 -58.82 -59.55 5.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 2.6600000000000001 110.492 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -60.76 -39.56 82.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.925 -0.58 . . . . 0.73999999999999999 111.343 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.06 -34.51 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.716 . . . . 0.89000000000000001 111.238 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 1.6799999999999999 111.371 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.703 0.287 . . . . 1.3100000000000001 111.377 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -134.39 131.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.882 0.372 . . . . 1.22 110.538 178.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.02 167.74 10.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.891 -0.595 . . . . 1.4199999999999999 109.928 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.16 71.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 1.0700000000000001 111.196 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HE2' ' B' ' 37' ' ' LYS . 52.4 mtmt -62.31 -31.29 71.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 3.2999999999999998 111.982 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 38' ' ' VAL . 2.9 p -103.52 -48.53 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.319 0.488 . . . . 0.79000000000000004 112.319 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.481 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 33.0 ttp180 -56.0 -52.93 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.709 0.29 . . . . 3.21 111.604 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -65.02 -34.26 78.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.128 0.489 . . . . 2.0899999999999999 110.277 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 24.3 ttmm -62.4 -43.04 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.752 -0.658 . . . . 1.6599999999999999 111.078 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 34' ' ' THR . 66.4 t -68.47 -48.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.42999999999999999 110.817 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.34 -42.41 86.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.429 -0.351 . . . . 1.79 110.736 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.57 -37.28 79.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.069 -0.514 . . . . 0.69999999999999996 111.017 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.4 73.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.46999999999999997 110.426 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.44 -25.24 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.52000000000000002 110.52 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.87 -29.98 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.62 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 47.8 mm-40 -70.26 -50.4 40.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.2 0.524 . . . . 1.55 110.166 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.558 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.5 OUTLIER -77.4 -16.69 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.6 -0.727 . . . . 0.98999999999999999 110.67 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.38 49.82 2.42 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 106.523 -1.658 . . . . 1.77 106.523 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.2 t80 -53.95 122.32 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 113.507 -1.678 . . . . 1.3300000000000001 112.775 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 mm -106.58 102.83 43.57 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 107.41 -1.33 . . . . 1.28 107.41 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 47' ' ' TYR . 21.7 Cg_exo -34.27 125.45 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 124.075 3.183 . . . . 0.82999999999999996 114.672 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 5.7 m-20 -73.86 59.11 0.67 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.938 -1.028 . . . . 1.6399999999999999 110.104 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -48.66 -39.65 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.112 0.782 . . . . 4.7599999999999998 113.112 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.5 m -59.75 -53.28 59.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.779 0.263 . . . . 0.69999999999999996 111.539 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.68 52.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.591 -0.277 . . . . 0.54000000000000004 111.447 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.4 -41.49 56.08 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.431 0.16 . . . . 1.49 111.431 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -64.29 -38.75 92.16 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.487 -0.931 . . . . 2.52 108.487 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.1 tp -63.83 -61.13 2.49 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 113.998 -1.455 . . . . 0.57999999999999996 109.657 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.411 -0.813 . . . . 1.02 111.373 -179.671 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 N--CA 1.462 -0.357 0 CA-C-O 121.127 0.386 . . . . 1.3 111.555 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.747 HG11 ' HG ' ' A' ' 45' ' ' LEU . 26.1 t -81.56 130.99 34.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.798 -0.637 . . . . 0.54000000000000004 109.646 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.31 169.15 8.72 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.894 -0.594 . . . . 0.40999999999999998 110.372 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.73 -16.9 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.525 -0.307 . . . . 0.28999999999999998 110.353 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -73.71 -35.06 65.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.475 -0.565 . . . . 0.48999999999999999 109.475 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.67 77.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 1.75 109.884 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD21 ' A' ' 45' ' ' LEU . 21.8 t -69.75 -42.13 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.22 110.294 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.22 85.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.831 . . . . 0.29999999999999999 110.125 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.72 -34.58 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 2.21 110.245 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.6 t80 -70.24 -40.14 74.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.201 -0.454 . . . . 1.49 111.451 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.13 -15.03 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.46000000000000002 111.354 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.49 36.53 33.67 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.098 -0.801 . . . . 0.52000000000000002 111.098 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.6 m -124.47 -162.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.045 -0.577 . . . . 0.35999999999999999 110.248 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 p -104.62 157.35 17.24 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.018 -0.734 . . . . 1.26 109.018 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.854 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 45.3 p90 -65.79 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.233 -0.587 . . . . 1.3200000000000001 109.514 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.421 HE21 ' HG3' ' A' ' 22' ' ' ARG . 9.9 tp60 -66.79 -39.78 87.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.57 -0.9 . . . . 1.0900000000000001 108.57 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.3 m -62.49 -44.96 95.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.48999999999999999 109.546 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 38' ' ' VAL . 76.6 t -56.31 -50.81 69.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.183 -0.917 . . . . 0.25 110.603 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -61.41 -37.64 84.2 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.211 -0.45 . . . . 0.87 110.858 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 72.4 mtt-85 -63.23 -30.71 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.397 -0.365 . . . . 2.0299999999999998 110.818 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' THR . 64.1 t -83.13 -48.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.407 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HE2' ' A' ' 47' ' ' TYR . 92.4 t -59.42 -42.25 87.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.378 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -82.58 -17.0 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 1.72 111.079 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 62.97 57.71 1.61 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.58 0.55 . . . . 4.8799999999999999 110.227 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.72 -155.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 2.27 111.796 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.62 -179.96 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.52 110.715 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m170 63.67 30.21 14.88 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.793 0.437 . . . . 0.76000000000000001 111.139 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 1.6 t -124.45 116.94 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.566 -0.454 . . . . 1.1599999999999999 111.248 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 p -84.46 149.72 25.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.712 -0.676 . . . . 1.3 109.44 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.71 -26.38 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.257 -0.429 . . . . 1.0600000000000001 111.591 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 37.6 ttpt -61.97 -57.2 12.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 3.3900000000000001 111.302 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.556 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.88 -29.11 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.424 0.527 . . . . 0.65000000000000002 112.424 -178.508 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG3' HG13 ' A' ' 23' ' ' VAL . 41.6 ttm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 3.3100000000000001 111.057 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 52.0 mt-10 -74.26 -24.09 59.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.777 -0.647 . . . . 1.45 111.622 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 23.1 mtpp -77.5 -38.74 48.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.97999999999999998 110.176 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 20' ' ' VAL . 61.0 t -71.19 -44.82 73.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.35999999999999999 110.965 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -62.89 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.284 0.564 . . . . 1.5900000000000001 110.061 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.38 -42.14 59.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.739 -0.664 . . . . 0.52000000000000002 110.913 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -66.28 -42.74 88.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.37 112.066 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.4 ptp -68.13 -10.09 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.057 0.391 . . . . 0.39000000000000001 112.057 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.77 -16.94 22.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.53000000000000003 110.209 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -80.83 -60.01 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 1.3600000000000001 110.743 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.747 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -81.91 0.58 39.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 1.8799999999999999 112.458 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 62.92 67.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.126 0.489 . . . . 2.0099999999999998 111.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.763 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.1 t80 -75.15 130.89 39.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.707 -0.678 . . . . 1.1599999999999999 111.43 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.93 106.66 55.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 1.1599999999999999 110.327 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.3 120.26 7.84 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.526 2.151 . . . . 0.55000000000000004 111.184 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -79.66 108.32 13.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.327 -0.397 . . . . 0.54000000000000004 111.535 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -73.45 -22.69 60.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 5.04 110.768 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -77.92 -41.31 36.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.357 -0.383 . . . . 0.82999999999999996 110.105 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.83 -30.79 69.41 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.45000000000000001 109.757 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.74 -41.07 88.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.799 -0.637 . . . . 1.21 110.543 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.39 -32.7 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 2.0099999999999998 109.972 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.35 -50.55 15.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 110.623 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.83 72.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.48999999999999999 110.783 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 121.029 -0.605 . . . . 1.1399999999999999 111.851 178.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.732 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.7 t . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.556 -0.535 . . . . 0.78000000000000003 109.556 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.568 HG22 HD21 ' B' ' 50' ' ' ASN . 16.6 p -90.75 169.25 11.12 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.843 -0.617 . . . . 0.5 111.455 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.583 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -79.44 -7.7 58.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.458 -1.312 . . . . 0.65000000000000002 107.458 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 18.5 m-85 -79.78 -44.54 20.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 113.718 -1.583 . . . . 1.27 109.628 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.54 -37.19 86.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.275 -0.875 . . . . 1.3100000000000001 110.989 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' B' ' 45' ' ' LEU . 56.5 t -62.64 -41.79 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.319 0.581 . . . . 0.28000000000000003 109.946 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -50.27 63.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.201 -0.909 . . . . 0.37 111.189 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 91.9 mt-10 -57.64 -36.56 72.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 2.3399999999999999 111.286 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 80.0 t80 -68.95 -51.47 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 1.5800000000000001 111.205 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.701 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -65.09 -30.74 71.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.64000000000000001 111.736 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.11 8.37 41.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.943 -0.646 . . . . 0.58999999999999997 112.164 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.97 169.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.243 . . . . 0.5 110.345 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.92 41.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.321 -0.622 . . . . 0.64000000000000001 109.321 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.583 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -62.76 -25.82 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 1.49 110.525 -179.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.5 -22.34 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.426 . . . . 0.96999999999999997 110.424 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -67.22 -29.18 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.643 -0.873 . . . . 0.54000000000000004 108.643 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.21 -41.0 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.042 -0.981 . . . . 0.44 109.066 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -50.82 -30.99 15.76 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.885 -0.598 . . . . 1.29 110.626 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.12 -64.07 0.93 Allowed 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.587 -0.733 . . . . 2.6600000000000001 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.43 HG23 ' H ' ' B' ' 23' ' ' VAL . 3.6 t -58.43 -29.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.73999999999999999 111.714 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.506 HG21 HD12 ' B' ' 6' ' ' LEU . 15.0 t -67.3 -29.19 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.29 -0.414 . . . . 0.89000000000000001 111.564 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.334 0.588 . . . . 1.6799999999999999 110.677 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 1.3100000000000001 109.535 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.71 122.45 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 1.22 109.811 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.51 161.97 26.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 1.4199999999999999 110.676 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.87 -52.9 61.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.514 0.509 . . . . 1.0700000000000001 111.705 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -59.6 -39.48 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 3.2999999999999998 111.227 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 20.2 m -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.607 -0.269 . . . . 0.79000000000000004 111.604 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 35' ' ' ARG . 19.6 ttt85 -61.88 -50.36 72.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.167 -0.309 . . . . 3.21 110.167 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.25 -33.59 73.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.752 -0.658 . . . . 2.0899999999999999 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.701 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 36.3 ttmt -63.39 -47.41 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 1.6599999999999999 110.643 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.48 -47.31 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.42999999999999999 111.508 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.44 -38.78 81.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.79 111.075 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.01 84.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.69999999999999996 110.26 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.41 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.46999999999999997 110.734 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 60.7 mtt -59.61 -27.05 65.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.259 -0.428 . . . . 0.52000000000000002 110.297 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.87 -19.45 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.62 111.136 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -75.87 -51.94 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.55 110.375 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' B' ' 9' ' ' VAL . 1.2 mm? -80.57 -15.72 55.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 0.98999999999999999 110.463 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.488 ' O ' HG13 ' B' ' 48' ' ' ILE . 2.6 t-20 69.07 54.87 0.43 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.392 -1.336 . . . . 1.77 107.392 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.732 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.1 t80 -52.37 117.0 2.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.09 -1.414 . . . . 1.3300000000000001 112.745 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 46' ' ' ASN . 78.3 mt -124.19 93.23 47.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.454 -1.248 . . . . 1.28 107.784 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.518 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.9 Cg_exo -33.43 127.88 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.795 3.663 . . . . 0.82999999999999996 114.675 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.568 HD21 HG22 ' B' ' 5' ' ' THR . 1.8 m120 -55.21 91.67 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.245 0 O-C-N 124.097 0.873 . . . . 1.6399999999999999 110.76 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -54.38 -35.95 63.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.941 0.401 . . . . 4.7599999999999998 111.638 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 19.2 m -77.99 -56.09 4.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.236 0.458 . . . . 0.69999999999999996 112.236 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.39 73.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.9 1.074 . . . . 0.54000000000000004 113.9 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 55.7 mt-30 -69.76 -45.04 68.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.301 0.5 . . . . 1.49 112.11 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -65.02 -35.36 80.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.237 0.541 . . . . 2.52 109.81 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' B' ' 56' ' ' LEU . 12.6 tp -67.58 -68.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.953 -1.021 . . . . 0.57999999999999996 110.549 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.257 -0.883 . . . . 1.02 112.468 -178.533 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 CA--C 1.533 0.44 0 CA-C-O 121.323 0.468 . . . . 1.3 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.765 HG11 ' HG ' ' A' ' 45' ' ' LEU . 59.7 t -92.54 132.56 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.104 -0.702 . . . . 0.54000000000000004 109.104 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.1 172.64 6.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.456 -0.338 . . . . 0.40999999999999998 110.657 -178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -64.57 -17.65 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.122 -0.49 . . . . 0.28999999999999998 110.646 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.07 -33.52 63.71 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.423 -0.353 . . . . 0.48999999999999999 110.457 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.53 -35.14 60.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.723 -0.473 . . . . 1.75 109.723 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.3 -43.5 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.364 -0.606 . . . . 0.22 109.364 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.84 94.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.175 -0.92 . . . . 0.29999999999999999 110.078 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.614 -0.721 . . . . 2.21 110.464 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.7 t80 -76.07 -39.81 54.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 1.49 111.095 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.76 -16.41 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.46000000000000002 111.676 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.17 33.37 32.69 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.583 -0.817 . . . . 0.52000000000000002 111.425 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.8 m -123.3 -175.16 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.998 -0.601 . . . . 0.35999999999999999 109.835 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -94.97 157.51 15.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.155 -0.684 . . . . 1.26 109.155 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.654 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 54.2 p90 -60.14 -32.66 71.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.61 -0.436 . . . . 1.3200000000000001 110.928 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 10.0 tp60 -66.19 -33.25 75.33 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.109 -0.7 . . . . 1.0900000000000001 109.109 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.61 -39.51 88.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.48999999999999999 109.87 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.614 ' HA ' HG11 ' A' ' 38' ' ' VAL . 52.1 t -60.06 -57.19 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.25 110.257 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 66.0 m -63.56 -25.25 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.87 110.393 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.7 tpp180 -61.76 -32.04 72.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 2.0299999999999998 109.835 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.913 HG22 HG11 ' A' ' 30' ' ' VAL . 40.4 t -88.7 -46.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.165 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.7 t -62.37 -55.62 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 114.439 1.274 . . . . 0.40999999999999998 114.439 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -122.03 3.49 9.91 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.738 1.384 . . . . 1.72 114.738 -175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.477 ' CG ' ' HA ' ' A' ' 22' ' ' ARG . 15.2 mm100 -106.03 -45.58 4.3 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.478 -0.889 . . . . 4.8799999999999999 111.356 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.65 27.22 13.93 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.42 0.629 . . . . 2.27 111.497 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 p -146.54 156.03 42.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.453 -0.794 . . . . 1.52 108.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m170 63.72 26.56 14.52 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.514 0.326 . . . . 0.76000000000000001 111.415 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -122.94 132.89 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.1599999999999999 111.458 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -90.95 163.18 14.44 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.361 -0.836 . . . . 1.3 108.964 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.99 82.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 1.0600000000000001 111.081 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 42.9 tttm -58.88 -45.23 90.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 3.3900000000000001 111.771 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -81.67 -40.33 23.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.347 0.499 . . . . 0.65000000000000002 112.347 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' A' ' 23' ' ' VAL . 42.3 ttp180 -57.97 -50.26 74.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.959 0.355 . . . . 3.3100000000000001 111.959 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -75.64 -11.44 60.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.149 -0.478 . . . . 1.45 111.98 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 18.8 ttmm -90.53 -35.43 15.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.409 . . . . 0.97999999999999998 110.28 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.3 t -75.47 -43.85 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.884 -0.598 . . . . 0.35999999999999999 110.043 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -61.72 -31.55 71.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 1.5900000000000001 109.85 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -80.61 -36.52 32.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.52000000000000002 111.087 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.596 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.31 -44.36 83.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.37 111.203 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.836 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.4 ptp -69.26 -8.5 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 0.39000000000000001 111.202 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -23.07 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.232 0.539 . . . . 0.53000000000000003 110.348 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 7.3 mm-40 -78.16 -57.1 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 1.3600000000000001 111.226 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.765 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -85.17 0.96 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.858 -0.61 . . . . 1.8799999999999999 112.33 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t30 59.2 77.06 0.33 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.728 0.775 . . . . 2.0099999999999998 110.657 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.3 t80 -82.51 138.76 34.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.982 -1.008 . . . . 1.1599999999999999 110.962 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.6 112.12 34.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.1599999999999999 110.321 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 119.68 6.8 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.444 2.096 . . . . 0.55000000000000004 111.528 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -76.04 105.99 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.54000000000000004 111.21 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -69.26 -28.94 66.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 5.04 110.804 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.522 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.97 -42.47 66.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.821 -0.437 . . . . 0.82999999999999996 109.821 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.69 -31.58 72.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.394 -0.595 . . . . 0.45000000000000001 109.394 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -66.58 -41.87 87.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.938 -1.028 . . . . 1.21 110.326 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.16 -32.38 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.767 -0.652 . . . . 2.0099999999999998 110.311 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD23 HD23 ' B' ' 56' ' ' LEU . 13.3 tp -77.66 -45.58 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.51000000000000001 110.933 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.27 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.48999999999999999 110.83 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.876 -0.678 . . . . 1.1399999999999999 112.266 179.158 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.698 HG21 ' O ' ' B' ' 45' ' ' LEU . 16.1 t . . . . . 0 CA--C 1.515 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.78000000000000003 110.69 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.513 HG22 HD21 ' B' ' 50' ' ' ASN . 17.4 p -106.04 172.84 6.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.156 -0.474 . . . . 0.5 110.694 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.57 HD12 HG21 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -78.95 -10.26 59.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.803 -1.184 . . . . 0.65000000000000002 107.803 179.147 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.458 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 20.5 m-85 -78.68 -33.89 46.61 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 113.857 -1.519 . . . . 1.27 109.629 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -69.34 -39.4 78.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 1.3100000000000001 110.415 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.589 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.9 t -61.32 -42.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.379 -0.828 . . . . 0.28000000000000003 110.853 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -63.36 -46.42 86.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.37 111.68 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.97 -41.35 87.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.763 -0.653 . . . . 2.3399999999999999 112.029 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.509 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.6 t80 -77.02 -37.66 54.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 1.5800000000000001 111.461 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.691 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -71.44 -27.32 63.19 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.005 0.372 . . . . 0.64000000000000001 112.005 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.9 20.32 47.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.6 -0.809 . . . . 0.58999999999999997 112.278 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -118.2 169.84 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.748 -0.464 . . . . 0.5 109.748 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -70.96 152.4 43.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.496 -0.927 . . . . 0.64000000000000001 108.496 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.573 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.51 -20.7 63.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 1.49 110.254 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.444 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -76.49 -24.74 53.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.96999999999999997 110.126 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -66.14 -27.72 68.25 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.053 -0.721 . . . . 0.54000000000000004 109.053 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' B' ' 38' ' ' VAL . 2.9 t -75.22 -45.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.016 -0.993 . . . . 0.44 108.598 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -46.98 -36.74 8.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.901 0.48 . . . . 1.29 111.217 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 25.7 mmt180 -59.31 -60.1 4.4 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.253 -0.43 . . . . 2.6600000000000001 110.664 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.05 -34.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.675 -0.693 . . . . 0.73999999999999999 111.141 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 25.0 t -67.83 -33.68 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.89000000000000001 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.178 0.514 . . . . 1.6799999999999999 110.879 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.82 0.343 . . . . 1.3100000000000001 111.454 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.39 48.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.266 -0.642 . . . . 1.22 109.266 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 35.74 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.089 0.403 . . . . 1.4199999999999999 112.089 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 69.27 -53.66 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.72 0.808 . . . . 1.0700000000000001 111.646 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -55.89 -48.05 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.811 -0.632 . . . . 3.2999999999999998 111.022 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.56 91.52 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.398 -0.364 . . . . 0.79000000000000004 111.051 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -61.82 -49.87 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 3.21 110.512 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.82 -32.39 73.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.7 -0.682 . . . . 2.0899999999999999 110.679 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.691 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 1.0 OUTLIER -67.33 -46.52 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.675 -0.491 . . . . 1.6599999999999999 109.675 179.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' B' ' 42' ' ' MET . 69.1 t -66.35 -47.14 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.624 . . . . 0.42999999999999999 110.444 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.12 -46.03 75.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.877 -0.601 . . . . 1.79 111.053 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.76 78.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.405 -0.361 . . . . 0.69999999999999996 111.519 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.94 -31.56 72.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.459 -0.337 . . . . 0.46999999999999997 111.297 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 54.6 mtt -57.87 -31.49 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.52000000000000002 110.361 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.37 -34.08 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.62 110.947 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -63.14 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.358 0.599 . . . . 1.55 110.481 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -91.28 2.98 55.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.52 -0.764 . . . . 0.98999999999999999 111.209 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.2 p-10 46.65 48.9 14.23 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.15 0.976 . . . . 1.77 109.326 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.685 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -49.97 118.44 2.9 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.929 -1.487 . . . . 1.3300000000000001 113.423 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.517 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 29.0 mt -120.25 94.89 48.96 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 107.472 -1.307 . . . . 1.28 107.472 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -35.84 127.07 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.419 3.413 . . . . 0.82999999999999996 114.753 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.513 HD21 HG22 ' B' ' 5' ' ' THR . 1.9 m120 -52.76 99.54 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-N 115.51 -0.768 . . . . 1.6399999999999999 110.591 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.89 -40.5 84.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.7 0.259 . . . . 4.7599999999999998 111.7 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 64.0 m -77.07 -53.34 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.751 0.649 . . . . 0.69999999999999996 112.751 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.09 77.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.62 0.97 . . . . 0.54000000000000004 113.62 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 29.6 mt-30 -69.96 -47.27 62.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.947 0.351 . . . . 1.49 111.947 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.29 -38.0 76.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.492 0.663 . . . . 2.52 109.629 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.5 HD23 HD23 ' A' ' 56' ' ' LEU . 10.6 tp -66.46 -70.54 0.24 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.668 -1.151 . . . . 0.57999999999999996 110.569 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.02 113.341 -177.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 C--O 1.236 0.407 0 CA-C-O 121.133 0.389 . . . . 1.3 113.038 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 88.0 t -74.72 144.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.442 -0.799 . . . . 0.54000000000000004 109.222 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.74 165.91 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.735 0.302 . . . . 0.40999999999999998 110.641 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -63.66 -18.08 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.991 -0.55 . . . . 0.28999999999999998 110.987 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.99 -34.78 62.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.526 . . . . 0.48999999999999999 109.578 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -69.91 -38.79 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 1.75 109.553 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.03 -46.77 78.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.22 110.053 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.93 87.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.744 -0.662 . . . . 0.29999999999999999 110.727 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.23 -38.67 82.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.807 -0.633 . . . . 2.21 111.111 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.428 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 26.8 t80 -73.86 -35.62 64.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 1.49 111.261 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.74 -18.46 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.46000000000000002 111.549 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.14 27.7 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.069 -0.812 . . . . 0.52000000000000002 111.069 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -124.63 -166.52 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.098 -0.551 . . . . 0.35999999999999999 109.932 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -106.1 154.48 20.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.582 -0.525 . . . . 1.26 109.582 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.6 p90 -60.41 -28.82 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.306 0.574 . . . . 1.3200000000000001 110.08 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' NE ' ' A' ' 22' ' ' ARG . 55.7 tp60 -68.09 -36.2 79.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.519 -0.764 . . . . 1.0900000000000001 109.347 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.4 m -67.1 -43.46 82.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.892 -0.595 . . . . 0.48999999999999999 109.622 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.9 t -57.57 -51.15 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.25 110.853 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 m -61.29 -29.7 70.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.823 0.344 . . . . 0.87 111.422 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 68.3 mtt180 -70.72 -23.9 62.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 2.0299999999999998 110.882 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 35' ' ' ARG . 66.0 t -90.63 -46.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.188 0.518 . . . . 0.44 110.497 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' VAL . 56.4 t -60.84 -49.82 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.138 -0.937 . . . . 0.40999999999999998 111.925 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -96.93 0.13 48.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.574 0.583 . . . . 1.72 112.574 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 57.79 76.13 0.34 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.229 0.538 . . . . 4.8799999999999999 110.548 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -113.41 25.04 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 2.27 111.317 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.3 t 59.26 -166.09 0.18 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.744 -0.662 . . . . 1.52 111.091 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.469 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . 4.6 m170 61.01 27.75 17.6 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.129 0.418 . . . . 0.76000000000000001 112.129 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 23' ' ' VAL . 3.2 t -132.98 140.55 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 1.1599999999999999 110.586 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -100.73 169.09 9.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.3 109.689 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -62.67 -36.78 84.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.852 0.358 . . . . 1.0600000000000001 111.09 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 40.3 mttt -56.57 -50.03 73.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 3.3900000000000001 111.706 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -78.6 -32.53 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.65000000000000002 112.382 -178.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.661 ' HG3' HG13 ' A' ' 23' ' ' VAL . 43.7 ttp180 -63.78 -45.98 87.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 3.3100000000000001 111.167 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 89.4 mt-10 -67.42 -26.01 66.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.745 0.646 . . . . 1.45 112.745 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.5 ptpt -85.08 -29.39 24.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.479 -0.488 . . . . 0.97999999999999998 110.379 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 34' ' ' THR . 53.7 t -72.85 -45.09 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.75 -0.463 . . . . 0.35999999999999999 109.75 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 42.4 mt-10 -68.07 -23.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 1.5900000000000001 109.834 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.77 -43.19 22.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.52000000000000002 110.195 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -67.78 -38.12 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.37 111.141 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.74 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.3 ptp -72.42 -11.1 60.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.933 0.397 . . . . 0.39000000000000001 110.808 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.68 -26.56 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.53000000000000003 109.937 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.0 mm-40 -71.27 -63.38 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.74 0.781 . . . . 1.3600000000000001 110.66 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -74.8 -10.88 59.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.523 -1.217 . . . . 1.8799999999999999 111.772 -178.243 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 67.0 65.92 0.43 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.605 0.717 . . . . 2.0099999999999998 109.652 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.7 t80 -73.49 134.31 43.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.83 -1.077 . . . . 1.1599999999999999 111.532 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -115.63 104.95 52.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.642 . . . . 1.1599999999999999 110.188 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -58.23 130.98 40.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.759 2.306 . . . . 0.55000000000000004 111.498 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.32 113.83 26.21 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.296 0.48 . . . . 0.54000000000000004 112.296 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -21.58 52.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.648 -0.705 . . . . 5.04 109.57 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -56.63 4.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -58.18 -28.62 64.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.45000000000000001 110.213 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.402 ' HB2' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -65.64 -38.73 90.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 1.21 109.665 178.405 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -72.16 -33.34 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 2.0099999999999998 110.837 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -77.22 -49.86 14.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 111.125 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.48999999999999999 111.948 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.651 0 C-N-CA 120.505 -0.855 . . . . 1.1399999999999999 112.66 -179.761 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.843 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 86.9 t . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.702 -0.481 . . . . 0.78000000000000003 109.702 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 7.0 p -90.77 163.07 14.6 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.257 -0.429 . . . . 0.5 110.628 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -76.99 -7.02 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.588 -1.264 . . . . 0.65000000000000002 107.588 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.466 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 27.1 m-85 -80.18 -42.03 24.15 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.864 -1.516 . . . . 1.27 109.263 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.17 -36.86 85.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.448 -0.797 . . . . 1.3100000000000001 109.96 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.533 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.1 t -61.45 -43.15 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.26 -0.882 . . . . 0.28000000000000003 110.248 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.62 -42.67 86.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.419 -0.809 . . . . 0.37 111.787 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.777 -0.647 . . . . 2.3399999999999999 111.124 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' B' ' 44' ' ' GLU . 67.6 t80 -72.22 -42.88 65.21 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 1.5800000000000001 111.139 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.74 -18.92 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.64000000000000001 112.564 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.58 27.7 60.73 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.963 -0.636 . . . . 0.58999999999999997 111.982 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 35.5 m -125.25 175.47 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 122.752 0.421 . . . . 0.5 109.923 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.3 p -75.22 154.72 37.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.412 -0.958 . . . . 0.64000000000000001 108.412 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -61.54 -22.11 64.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.497 . . . . 1.49 110.743 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' B' ' 21' ' ' SER . 4.2 tt0 -81.33 -17.26 49.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.189 -0.46 . . . . 0.96999999999999997 111.024 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.88 -31.23 71.69 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.987 -1.116 . . . . 0.54000000000000004 107.987 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.483 HG13 ' CG1' ' B' ' 38' ' ' VAL . 15.7 t -73.99 -39.18 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.256 -1.338 . . . . 0.44 108.792 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 31.3 t -53.21 -33.0 50.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.205 -0.907 . . . . 1.29 111.056 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 33.6 mmt180 -63.66 -56.26 17.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 2.6600000000000001 110.604 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.75 -27.93 41.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.012 -0.54 . . . . 0.73999999999999999 111.28 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 6' ' ' LEU . 5.4 t -73.49 -33.42 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.89000000000000001 111.03 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.247 0.546 . . . . 1.6799999999999999 111.75 -179.846 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 112.03 0.381 . . . . 1.3100000000000001 112.03 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.68 97.54 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 120.716 0.293 . . . . 1.22 110.265 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.45 152.88 28.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.906 -0.588 . . . . 1.4199999999999999 110.013 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.55 -48.97 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.49 0.552 . . . . 1.0700000000000001 112.49 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.598 ' HG3' ' HE2' ' B' ' 37' ' ' LYS . 4.4 tppp? -54.51 -55.12 32.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 3.2999999999999998 112.022 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.4 -41.1 85.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.279 0.474 . . . . 0.79000000000000004 112.279 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -61.25 -44.17 97.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 3.21 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -64.29 -33.59 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 2.0899999999999999 110.818 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.598 ' HE2' ' HG3' ' B' ' 33' ' ' LYS . 67.9 mttm -63.5 -45.5 90.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.253 0.549 . . . . 1.6599999999999999 109.559 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.483 ' CG1' HG13 ' B' ' 20' ' ' VAL . 66.9 t -66.08 -49.62 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.42999999999999999 111.239 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.26 -38.02 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.357 -0.383 . . . . 1.79 110.994 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.25 84.4 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.923 -0.399 . . . . 0.69999999999999996 109.923 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.49 79.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.78 -0.645 . . . . 0.46999999999999997 110.568 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 56.5 mtt -60.0 -23.56 63.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.52000000000000002 110.219 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.43 -35.1 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.62 111.174 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' B' ' 12' ' ' TYR . 23.7 mm-40 -65.42 -51.33 61.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 1.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -82.86 -14.06 54.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.723 -0.671 . . . . 0.98999999999999999 109.881 179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.49 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.5 t30 61.29 63.07 1.26 Allowed 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.573 -1.269 . . . . 1.77 107.573 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -49.36 113.34 0.79 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.099 -1.41 . . . . 1.3300000000000001 113.221 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.843 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 34.7 mt -121.44 90.53 47.84 Favored Pre-proline 0 N--CA 1.449 -0.494 0 N-CA-C 107.285 -1.376 . . . . 1.28 107.285 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -36.6 125.23 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 124.169 3.246 . . . . 0.82999999999999996 113.814 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.2 m120 -47.37 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.347 1.029 . . . . 1.6399999999999999 110.204 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.501 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 9.8 tpt180 -58.05 -24.71 59.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.763 0.316 . . . . 4.7599999999999998 111.705 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.56 -64.27 1.18 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.948 0.404 . . . . 0.69999999999999996 111.182 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.56 80.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.575 0.583 . . . . 0.54000000000000004 112.575 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.609 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 13.5 mm-40 -74.11 -34.32 63.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.948 -0.301 . . . . 1.49 111.25 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.74 -40.17 88.22 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.771 -0.826 . . . . 2.52 108.771 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.1 tp -66.44 -64.77 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.622 -1.172 . . . . 0.57999999999999996 110.524 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 113.231 0.826 . . . . 1.02 113.231 -178.155 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo . . . . . 0 C--O 1.235 0.343 0 CA-C-O 121.268 0.445 . . . . 1.3 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' A' ' 45' ' ' LEU . 79.7 t -94.83 136.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.72 . . . . 0.54000000000000004 109.415 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 170.23 8.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.185 -0.461 . . . . 0.40999999999999998 111.341 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -66.82 -16.6 64.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.28999999999999998 110.555 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -74.55 -39.68 62.15 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.864 -0.607 . . . . 0.48999999999999999 109.603 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.05 -38.08 85.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.392 -0.822 . . . . 1.75 110.201 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.51 ' HA ' HD11 ' A' ' 45' ' ' LEU . 40.6 t -68.14 -40.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.743 -0.662 . . . . 0.22 109.744 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.85 81.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.521 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.72 -29.0 63.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 2.21 111.097 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.588 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.0 t80 -76.58 -39.32 52.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 1.49 110.701 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.11 30.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.942 0.401 . . . . 0.46000000000000002 111.491 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.58 11.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.681 -0.968 . . . . 0.52000000000000002 110.681 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 34' ' ' THR . 26.8 m -132.37 -166.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.264 -0.468 . . . . 0.35999999999999999 110.031 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.8 p -100.55 158.61 15.79 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.1 -0.704 . . . . 1.26 109.1 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.895 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 38.0 p90 -66.05 -27.76 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.594 -0.521 . . . . 1.3200000000000001 109.594 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.44 -35.34 79.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.877 -0.786 . . . . 1.0900000000000001 108.877 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.2 m -65.81 -44.24 86.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.139 -0.689 . . . . 0.48999999999999999 109.139 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.1 t -58.64 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.082 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -62.68 -31.82 72.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.803 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 30' ' ' VAL . 6.6 tpp180 -64.02 -36.15 83.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.584 . . . . 2.0299999999999998 110.021 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 54.8 t -80.34 -46.45 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.197 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.6 t -58.86 -41.29 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.40999999999999998 111.744 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -78.95 -20.36 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.326 0.491 . . . . 1.72 112.326 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 61.59 42.89 10.57 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.319 0.581 . . . . 4.8799999999999999 110.269 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.9 -144.19 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 2.27 111.497 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 0.7 OUTLIER -95.26 174.12 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.397 -0.365 . . . . 1.52 110.237 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER 61.21 36.46 17.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.425 0.69 . . . . 0.76000000000000001 111.745 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -118.58 110.97 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.53 -0.468 . . . . 1.1599999999999999 110.944 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 87.2 p -82.35 159.83 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 1.3 110.212 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.27 66.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 1.0600000000000001 111.373 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 20.6 mmtp -62.91 -56.16 19.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 3.3900000000000001 111.293 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.809 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -73.91 -29.73 62.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.95 -0.568 . . . . 0.65000000000000002 112.056 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.0 ttt180 -58.47 -36.74 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.157 0.503 . . . . 3.3100000000000001 111.079 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.65 -35.51 22.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.597 . . . . 1.45 112.493 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.809 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.7 ptpt -75.43 -32.01 60.55 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.871 -0.332 . . . . 0.97999999999999998 111.675 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.1 t -74.11 -44.55 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.35999999999999999 110.338 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 1.3 mt-10 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 1.5900000000000001 110.441 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.99 -32.27 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.521 . . . . 0.52000000000000002 110.757 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -75.91 -42.73 48.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.953 -0.567 . . . . 0.37 111.027 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.629 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -65.51 -12.82 56.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.39000000000000001 111.673 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.36 23.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.419 . . . . 0.53000000000000003 110.677 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.51 -58.76 2.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.867 -0.606 . . . . 1.3600000000000001 111.694 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.779 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -80.8 -2.38 46.94 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.853 -0.612 . . . . 1.8799999999999999 112.604 -178.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 66.02 69.48 0.44 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.214 0.531 . . . . 2.0099999999999998 111.098 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.1 t80 -65.92 133.76 51.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.229 -0.896 . . . . 1.1599999999999999 111.015 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.464 HG12 ' H ' ' A' ' 4' ' ' VAL . 23.6 mm -108.72 100.42 38.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 1.1599999999999999 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.24 130.55 22.88 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.558 2.172 . . . . 0.55000000000000004 110.414 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -106.91 113.72 27.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.37 . . . . 0.54000000000000004 111.997 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 7.6 ppt_? -78.17 -22.72 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 5.04 109.823 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 1.1 m -69.82 -43.23 72.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.463 -0.569 . . . . 0.82999999999999996 109.463 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -69.41 -30.06 67.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.02 -0.991 . . . . 0.45000000000000001 109.602 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -68.02 -42.46 80.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 1.21 109.741 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.7 mt-30 -65.94 -32.66 74.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 2.0099999999999998 109.94 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.33 -52.91 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.51000000000000001 110.718 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.48999999999999999 111.278 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 121.095 -0.574 . . . . 1.1399999999999999 111.808 179.448 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.5 t . . . . . 0 CA--C 1.515 -0.38 0 CA-C-O 120.897 0.38 . . . . 0.78000000000000003 111.39 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 32.1 p -100.49 -176.66 3.27 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.643 -0.708 . . . . 0.5 110.46 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.565 HD23 ' HD2' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -81.1 -9.01 59.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.801 -1.185 . . . . 0.65000000000000002 107.801 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.419 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 14.9 m-85 -81.32 -35.3 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 113.8 -1.546 . . . . 1.27 109.933 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.66 ' HB2' HG13 ' B' ' 4' ' ' VAL . 14.5 m-20 -70.9 -39.68 72.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 111.103 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.559 ' HA ' HD23 ' B' ' 45' ' ' LEU . 44.6 t -57.91 -38.37 65.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.369 0.604 . . . . 0.28000000000000003 110.365 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -44.51 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.214 -0.903 . . . . 0.37 111.223 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -56.9 -47.29 80.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.84 . . . . 2.3399999999999999 111.818 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.689 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.1 t80 -69.86 -42.12 73.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 1.5800000000000001 111.764 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.2 -21.04 63.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.379 -0.373 . . . . 0.64000000000000001 111.247 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.59 22.9 52.47 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.822 -0.704 . . . . 0.58999999999999997 112.224 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.02 174.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.579 -0.526 . . . . 0.5 109.579 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.6 p -78.43 153.43 31.49 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.691 -0.855 . . . . 0.64000000000000001 108.691 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -58.66 -28.53 65.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.195 0.521 . . . . 1.49 109.758 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.84 -30.03 70.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.96999999999999997 110.429 179.405 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' B' ' 23' ' ' VAL . 18.7 m -61.9 -40.08 94.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.04 -0.726 . . . . 0.54000000000000004 109.04 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.9 t -69.46 -45.66 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.317 -0.856 . . . . 0.44 109.115 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -54.56 -33.87 60.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.137 0.494 . . . . 1.29 110.788 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 4.8 mtt85 -79.76 -42.57 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 111.238 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 19' ' ' THR . 60.5 t -58.3 -33.43 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.73999999999999999 110.517 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 20' ' ' VAL . 43.1 t -85.42 -32.35 7.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.89000000000000001 112.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 113.457 0.91 . . . . 1.6799999999999999 113.457 -177.822 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.495 0.188 . . . . 1.3100000000000001 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.403 HG11 HG22 ' B' ' 23' ' ' VAL . 47.0 t -135.7 111.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.963 0.411 . . . . 1.22 110.719 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.81 152.68 44.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.674 -0.694 . . . . 1.4199999999999999 110.582 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.42 73.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.495 -0.32 . . . . 1.0700000000000001 111.559 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.17 -54.0 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.533 -0.303 . . . . 3.2999999999999998 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -67.62 -34.83 77.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.61 0.243 . . . . 0.79000000000000004 111.445 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.3 ttp180 -63.02 -51.53 66.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.065 0.459 . . . . 3.21 110.287 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -68.41 -32.37 72.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.587 -0.733 . . . . 2.0899999999999999 111.317 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' B' ' 37' ' ' LYS . 23.4 ttmm -64.55 -43.12 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.6599999999999999 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' B' ' 20' ' ' VAL . 46.1 t -66.46 -47.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.42999999999999999 110.649 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.89 -34.58 76.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 1.79 111.089 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.8 60.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.96 0.409 . . . . 0.69999999999999996 110.548 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.83 70.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.946 -0.57 . . . . 0.46999999999999997 111.119 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 68.7 mtt -59.06 -28.33 66.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.52000000000000002 110.366 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.74 -14.85 36.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.62 111.673 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.8 -47.22 8.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.03 0.443 . . . . 1.55 110.495 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -79.12 -24.51 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.626 . . . . 0.98999999999999999 111.029 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 42.5 t30 76.78 57.32 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 106.812 -1.551 . . . . 1.77 106.812 -176.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -56.62 114.83 2.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.097 -1.411 . . . . 1.3300000000000001 112.548 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -113.01 94.17 28.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 107.742 -1.207 . . . . 1.28 107.742 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -33.52 118.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.205 3.27 . . . . 0.82999999999999996 114.341 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -73.68 64.76 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.574 -0.739 . . . . 1.6399999999999999 109.374 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.452 HH11 ' HD3' ' B' ' 51' ' ' ARG . 13.5 mtm180 -50.7 -33.01 21.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.811 -1.086 . . . . 4.7599999999999998 112.979 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 86.3 m -58.37 -53.73 54.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.957 0.408 . . . . 0.69999999999999996 110.86 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.19 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.869 -0.605 . . . . 0.54000000000000004 111.318 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.45 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 80.3 mt-30 -71.47 -54.52 10.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.488 -0.324 . . . . 1.49 111.419 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.53 -35.51 70.39 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.983 -0.747 . . . . 2.52 108.983 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 53' ' ' ALA . 13.7 tp -64.22 -69.64 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.319 -1.309 . . . . 0.57999999999999996 111.002 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 O-C-N 124.37 1.044 . . . . 1.02 113.339 -177.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 N--CA 1.461 -0.414 0 CA-C-O 121.193 0.414 . . . . 1.3 111.681 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.769 HG11 ' HG ' ' A' ' 45' ' ' LEU . 39.6 t -66.98 135.01 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.518 -0.764 . . . . 0.54000000000000004 109.244 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.91 164.51 11.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.123 -0.49 . . . . 0.40999999999999998 111.229 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.796 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -64.14 -16.74 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.622 -0.717 . . . . 0.28999999999999998 110.761 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.06 -33.59 59.58 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.212 -0.662 . . . . 0.48999999999999999 109.212 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.46 -39.92 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.753 . . . . 1.75 109.625 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.29 -40.1 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 0.22 109.707 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.72 84.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.451 -0.795 . . . . 0.29999999999999999 110.2 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -73.78 -28.61 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.436 -0.802 . . . . 2.21 110.493 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.553 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.2 t80 -79.6 -38.23 34.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.797 -0.638 . . . . 1.49 111.297 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.58 -14.84 36.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.479 -0.328 . . . . 0.46000000000000002 111.437 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.09 39.92 22.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.52000000000000002 111.252 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.9 m -134.23 -170.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.705 -0.479 . . . . 0.35999999999999999 109.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -97.59 156.54 16.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.0 p90 -58.27 -35.7 72.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.484 -0.325 . . . . 1.3200000000000001 110.81 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 14.3 tp60 -64.63 -33.56 76.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.384 -0.599 . . . . 1.0900000000000001 109.384 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 m -68.0 -43.29 79.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.683 -0.689 . . . . 0.48999999999999999 109.35 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.0 t -60.03 -53.87 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.171 -0.922 . . . . 0.25 110.048 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -61.51 -30.35 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.87 110.44 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 1.016 ' HG3' HG22 ' A' ' 30' ' ' VAL . 11.0 tpp180 -62.54 -38.06 88.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.103 -0.703 . . . . 2.0299999999999998 109.103 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG13 ' HG3' ' A' ' 35' ' ' ARG . 71.1 t -80.76 -40.75 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 91.1 t -59.26 -43.02 88.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.171 -0.468 . . . . 0.40999999999999998 111.047 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -73.49 -27.88 61.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.418 -0.356 . . . . 1.72 111.211 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 60.28 41.71 16.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.481 0.657 . . . . 4.8799999999999999 109.712 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.79 -144.49 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.161 -0.927 . . . . 2.27 111.224 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.4 m -83.94 171.86 12.62 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.677 0.275 . . . . 1.52 111.547 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 m170 62.38 33.06 16.61 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.585 0.754 . . . . 0.76000000000000001 112.39 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.016 HG22 ' HG3' ' A' ' 22' ' ' ARG . 2.1 t -120.3 117.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.351 -0.54 . . . . 1.1599999999999999 111.42 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.0 p -87.84 150.75 23.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.072 -0.714 . . . . 1.3 109.072 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.02 68.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.724 0.297 . . . . 1.0600000000000001 110.992 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.92 -52.39 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 3.3900000000000001 111.554 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.716 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.4 p -78.56 -29.34 46.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.65000000000000002 111.395 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.1 ttt-85 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.129 0.49 . . . . 3.3100000000000001 110.815 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.64 -22.05 51.29 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.216 0.821 . . . . 1.45 113.216 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.716 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 13.4 ptpt -91.69 -27.18 18.25 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.284 -0.566 . . . . 0.97999999999999998 110.899 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.5 t -77.63 -45.26 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.848 0.356 . . . . 0.35999999999999999 110.498 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 34.5 mt-10 -66.77 -25.1 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 1.5900000000000001 110.397 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.5 -30.7 33.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.447 . . . . 0.52000000000000002 110.612 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.562 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -77.11 -42.88 36.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.37 111.043 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.5 ptp -66.37 -11.8 53.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.059 -0.519 . . . . 0.39000000000000001 111.496 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.06 -15.73 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.424 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -85.51 -61.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.47 -0.786 . . . . 1.3600000000000001 111.337 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -77.8 3.57 13.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 1.8799999999999999 112.457 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.93 62.51 1.43 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.301 0.572 . . . . 2.0099999999999998 110.857 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.9 t80 -63.12 135.53 57.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.139 -0.937 . . . . 1.1599999999999999 111.143 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.64 105.92 56.72 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.651 -0.704 . . . . 1.1599999999999999 110.576 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.56 95.55 0.28 Allowed 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.463 2.109 . . . . 0.55000000000000004 110.34 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.76 107.97 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.54000000000000004 112.221 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -23.4 53.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.564 -0.744 . . . . 5.04 110.376 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.723 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -76.13 -39.04 56.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.575 . . . . 0.82999999999999996 110.208 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.75 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.868 -0.605 . . . . 0.45000000000000001 109.38 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.74 -38.39 86.54 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.13 -0.941 . . . . 1.21 110.05 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.25 -26.49 66.6 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.81 -0.632 . . . . 2.0099999999999998 110.696 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -86.51 -51.49 6.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.51000000000000001 111.016 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.0 71.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.407 0.623 . . . . 0.48999999999999999 110.712 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.676 0 CA-C-N 115.659 -0.701 . . . . 1.1399999999999999 111.53 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 56.3 t . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.11 0.481 . . . . 0.78000000000000003 110.531 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.403 HG22 ' ND2' ' B' ' 50' ' ' ASN . 15.9 p -97.04 166.03 11.79 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.688 -0.687 . . . . 0.5 110.782 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.487 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -77.98 -7.72 57.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.865 -1.161 . . . . 0.65000000000000002 107.865 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.449 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 15.7 m-85 -81.54 -39.51 24.55 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.972 -1.467 . . . . 1.27 110.056 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.04 -37.81 88.79 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.774 -0.648 . . . . 1.3100000000000001 110.078 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.569 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.6 t -61.76 -42.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.441 -0.8 . . . . 0.28000000000000003 110.559 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.561 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.12 -49.85 66.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 0.37 112.135 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 11.3 mm-40 -57.27 -43.28 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 2.3399999999999999 111.691 -178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.437 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.8 t80 -69.16 -42.07 76.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.5800000000000001 111.45 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -70.29 -25.09 63.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.488 -0.323 . . . . 0.64000000000000001 111.849 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.95 12.04 59.52 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.027 -0.606 . . . . 0.58999999999999997 112.171 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.11 170.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.553 0.216 . . . . 0.5 110.425 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.2 p -73.25 153.26 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.64000000000000001 108.81 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.79 -25.91 67.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.118 0.485 . . . . 1.49 110.513 -179.633 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.82 -21.26 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.96999999999999997 110.52 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -65.08 -36.26 83.75 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 107.796 -1.187 . . . . 0.54000000000000004 107.796 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' CG1' ' B' ' 38' ' ' VAL . 9.6 t -72.55 -47.05 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 114.647 -1.16 . . . . 0.44 108.842 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -50.51 -41.99 54.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.836 -0.62 . . . . 1.29 111.139 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -68.9 -49.87 54.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 2.6600000000000001 111.302 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.79 -39.55 80.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.099 0.476 . . . . 0.73999999999999999 110.509 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.54 -37.4 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.159 -0.928 . . . . 0.89000000000000001 111.146 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.94 0.4 . . . . 1.6799999999999999 111.745 -178.8 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 m170 . . . . . 0 N--CA 1.444 -0.744 0 N-CA-C 110.534 -0.173 . . . . 1.3100000000000001 110.534 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 30' ' ' VAL . 4.2 t -54.89 113.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.42 . . . . 1.22 110.554 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 168.33 19.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.577 -0.738 . . . . 1.4199999999999999 111.117 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.11 -40.45 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.684 0.278 . . . . 1.0700000000000001 111.699 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -59.86 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 3.2999999999999998 111.179 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -28.69 55.36 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.505 -0.316 . . . . 0.79000000000000004 111.278 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.2 ttm180 -63.89 -54.96 26.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.167 -0.469 . . . . 3.21 110.566 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.34 -22.25 65.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.511 . . . . 2.0899999999999999 110.465 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.6 OUTLIER -66.69 -47.43 72.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.319 0.58 . . . . 1.6599999999999999 109.768 178.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' B' ' 20' ' ' VAL . 93.2 t -66.16 -46.21 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.779 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 24.7 mt-10 -61.25 -33.49 73.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.082 -0.508 . . . . 1.79 111.12 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.02 67.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.69999999999999996 110.049 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.09 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.895 -0.593 . . . . 0.46999999999999997 110.608 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.7 mtt -58.07 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.52000000000000002 110.261 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.72 21.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.987 -0.552 . . . . 0.62 111.112 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -51.9 63.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 1.55 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.5 OUTLIER -80.8 -12.32 59.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.184 -0.462 . . . . 0.98999999999999999 110.546 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.42 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.9 t-20 62.37 56.1 2.19 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 107.274 -1.38 . . . . 1.77 107.274 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.4 t80 -52.6 106.78 0.17 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 114.137 -1.392 . . . . 1.3300000000000001 113.307 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.697 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 mm -113.89 93.69 30.43 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 106.962 -1.495 . . . . 1.28 106.962 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.488 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.8 Cg_exo -30.4 115.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.546 3.498 . . . . 0.82999999999999996 114.667 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.403 ' ND2' HG22 ' B' ' 5' ' ' THR . 6.0 p-10 -72.12 82.13 0.98 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.637 0.732 . . . . 1.6399999999999999 110.198 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -51.36 -32.69 26.69 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.428 -1.26 . . . . 4.7599999999999998 112.859 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.723 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 96.3 m -54.59 -49.41 70.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.69999999999999996 111.938 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.79 -26.79 19.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.54000000000000004 111.425 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 78.2 mt-30 -71.62 -49.9 35.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.734 -0.212 . . . . 1.49 111.51 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -65.62 -31.66 72.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.327 -0.62 . . . . 2.52 109.327 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' B' ' 52' ' ' CYS . 11.3 tp -62.43 -63.96 1.07 Allowed 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 114.924 -1.035 . . . . 0.57999999999999996 109.749 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 114.946 -1.024 . . . . 1.02 111.983 -179.034 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.932 0.305 . . . . 1.3 111.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.753 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.7 t -69.63 136.65 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.299 -0.63 . . . . 0.54000000000000004 109.299 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.9 167.42 9.8 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.976 0.417 . . . . 0.40999999999999998 111.239 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.75 -17.6 64.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.28999999999999998 110.427 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -73.81 -39.48 64.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.495 -0.558 . . . . 0.48999999999999999 109.495 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.84 -39.72 91.05 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.6 -0.727 . . . . 1.75 110.057 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.31 -40.97 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.391 -0.822 . . . . 0.22 109.726 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.23 95.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.058 -0.974 . . . . 0.29999999999999999 110.977 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.8 -37.02 76.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 2.21 111.327 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -73.44 -36.15 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.927 0.394 . . . . 1.49 111.033 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -84.19 -25.52 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.46000000000000002 111.059 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.98 32.24 15.11 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.94 -0.864 . . . . 0.52000000000000002 110.94 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.92 -170.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.159 -0.521 . . . . 0.35999999999999999 110.337 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -97.3 155.75 16.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.952 -0.759 . . . . 1.26 108.952 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.801 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -58.51 -33.4 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.79 -0.448 . . . . 1.3200000000000001 109.79 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.0 tp60 -65.09 -38.48 90.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.787 -0.642 . . . . 1.0900000000000001 109.569 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.1 m -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.48999999999999999 109.716 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.5 t -57.14 -51.8 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.25 110.673 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 m -59.43 -32.57 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.647 -0.251 . . . . 0.87 111.314 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HG22 ' A' ' 30' ' ' VAL . 90.6 mtt-85 -66.13 -31.06 71.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 2.0299999999999998 110.476 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' THR . 43.5 t -82.94 -42.76 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.44 110.6 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 47' ' ' TYR . 49.0 t -62.89 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 0.40999999999999998 111.096 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -83.03 -11.7 57.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.439 . . . . 1.72 111.202 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.87 51.61 10.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.607 -0.724 . . . . 4.8799999999999999 110.266 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.81 -155.32 0.44 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.227 -0.897 . . . . 2.27 111.084 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -97.64 177.98 5.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.409 -0.36 . . . . 1.52 110.629 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.8 m170 66.12 29.83 9.69 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.087 0.555 . . . . 0.76000000000000001 112.151 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -125.52 115.67 44.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.798 -0.361 . . . . 1.1599999999999999 111.105 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 p -80.35 150.16 29.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.972 -0.558 . . . . 1.3 109.646 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -57.16 -35.15 69.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.761 0.315 . . . . 1.0600000000000001 110.796 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -53.94 -46.14 71.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.647 -0.706 . . . . 3.3900000000000001 111.212 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -83.14 -33.13 26.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.285 -0.416 . . . . 0.65000000000000002 111.224 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -57.53 -45.94 84.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.908 0.385 . . . . 3.3100000000000001 111.129 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.3 mt-10 -68.44 -34.38 75.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.668 -0.696 . . . . 1.45 112.742 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.3 ptpt -78.9 -29.56 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.398 -0.521 . . . . 0.97999999999999998 110.982 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 85.4 t -78.12 -40.41 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.268 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.68 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 1.5900000000000001 110.067 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -83.08 -38.79 22.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.411 -0.813 . . . . 0.52000000000000002 110.821 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.43 89.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.37 111.837 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.674 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.0 ptp -69.81 -11.36 60.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.333 -0.394 . . . . 0.39000000000000001 110.867 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.88 -22.01 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.13 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 9.0 mm-40 -82.24 -49.98 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.311 -0.859 . . . . 1.3600000000000001 110.365 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.0 mt -80.7 -7.36 59.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.754 -1.112 . . . . 1.8799999999999999 111.56 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 m120 60.94 51.14 4.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.671 0.748 . . . . 2.0099999999999998 109.97 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.753 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.0 t80 -65.84 132.08 47.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.78 -1.1 . . . . 1.1599999999999999 111.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.57 112.44 51.3 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 1.1599999999999999 110.451 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.05 114.15 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.436 2.091 . . . . 0.55000000000000004 110.923 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.86 100.77 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.379 -0.373 . . . . 0.54000000000000004 111.707 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -21.16 64.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 5.04 110.766 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.736 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -76.25 -43.53 41.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.4 -0.593 . . . . 0.82999999999999996 109.4 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -70.12 -29.7 66.71 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.45000000000000001 109.246 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.06 -42.49 89.38 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.333 -0.849 . . . . 1.21 109.982 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.42 -39.53 92.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 2.0099999999999998 109.674 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.51 -54.05 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.67 -0.696 . . . . 0.51000000000000001 110.987 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.74 97.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.48999999999999999 111.902 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.948 -0.644 . . . . 1.1399999999999999 112.643 -179.774 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 45' ' ' LEU . 59.1 t . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.679 -0.489 . . . . 0.78000000000000003 109.679 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 25.3 p -95.86 173.16 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.258 -0.428 . . . . 0.5 109.862 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.766 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -82.47 -5.52 58.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.565 -1.272 . . . . 0.65000000000000002 107.565 179.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.403 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 5.8 m-85 -80.65 -38.68 28.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.884 -1.507 . . . . 1.27 109.084 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.54 -39.93 95.7 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.447 -0.797 . . . . 1.3100000000000001 109.813 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.1 t -61.66 -40.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 0.28000000000000003 111.022 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -62.73 -55.44 26.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.832 -0.622 . . . . 0.37 111.914 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.17 -46.87 84.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.588 -0.733 . . . . 2.3399999999999999 111.731 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.544 ' HB3' HD21 ' B' ' 45' ' ' LEU . 39.4 t80 -63.57 -44.59 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.369 0.507 . . . . 1.5800000000000001 112.369 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.805 0.336 . . . . 0.64000000000000001 111.819 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.04 57.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.58999999999999997 111.952 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.425 HG21 HG22 ' B' ' 38' ' ' VAL . 33.5 m -107.24 167.05 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.766 -0.457 . . . . 0.5 109.766 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 97.0 p -69.66 152.43 44.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.024 -0.732 . . . . 0.64000000000000001 109.024 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.766 ' CE1' HD23 ' B' ' 6' ' ' LEU . 69.5 t80 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.623 0.725 . . . . 1.49 110.137 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -62.24 -38.77 90.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.061 -0.972 . . . . 0.96999999999999997 111.135 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' B' ' 23' ' ' VAL . 24.2 m -56.88 -33.75 67.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.81 -0.632 . . . . 0.54000000000000004 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' B' ' 10' ' ' ALA . 8.1 t -71.41 -56.98 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.44 110.424 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 42.8 m -55.51 -28.37 54.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.838 0.351 . . . . 1.29 111.579 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -69.87 -48.8 57.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 2.6600000000000001 111.555 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.551 HG22 HG11 ' B' ' 30' ' ' VAL . 97.2 t -59.13 -31.28 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.653 0.74 . . . . 0.73999999999999999 110.044 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.47 -25.47 22.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.799 -1.091 . . . . 0.89000000000000001 111.344 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.234 0.263 0 N-CA-C 112.348 0.499 . . . . 1.6799999999999999 112.348 -178.778 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.223 -0.34 0 CA-C-O 120.686 0.279 . . . . 1.3100000000000001 110.382 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.551 HG11 HG22 ' B' ' 23' ' ' VAL . 39.0 t -57.58 102.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.373 0.606 . . . . 1.22 111.588 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -66.19 157.9 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 1.4199999999999999 110.395 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.28 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.191 0.441 . . . . 1.0700000000000001 112.191 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -56.71 -45.57 81.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 3.2999999999999998 111.592 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.419 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -84.93 -30.44 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.288 -0.414 . . . . 0.79000000000000004 111.49 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.458 ' HB2' HG12 ' B' ' 30' ' ' VAL . 73.1 ttt180 -63.77 -52.23 61.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 3.21 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -64.67 -29.86 70.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 2.0899999999999999 110.779 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 7.5 tppt? -61.45 -43.56 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 1.6599999999999999 110.105 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' B' ' 20' ' ' VAL . 59.4 t -69.76 -48.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.53 -0.759 . . . . 0.42999999999999999 110.6 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.28 -40.64 82.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.017 -0.538 . . . . 1.79 111.193 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -67.15 -38.06 84.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.386 -0.37 . . . . 0.69999999999999996 110.613 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -31.87 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.018 -0.537 . . . . 0.46999999999999997 110.535 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -61.39 -23.73 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.259 0.552 . . . . 0.52000000000000002 110.159 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.46 -29.98 14.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.825 -0.625 . . . . 0.62 110.395 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 21.9 mm-40 -67.13 -56.77 8.59 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.099 -0.501 . . . . 1.55 110.661 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.7 OUTLIER -74.88 -16.68 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.98999999999999999 110.824 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 67.12 54.6 0.73 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.428 -1.323 . . . . 1.77 107.428 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.526 ' OH ' ' HB2' ' B' ' 6' ' ' LEU . 2.3 t80 -50.98 115.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.91 -1.495 . . . . 1.3300000000000001 112.799 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.49 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 32.0 mm -111.45 94.96 24.48 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 107.821 -1.178 . . . . 1.28 107.821 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -29.71 128.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 124.887 3.725 . . . . 0.82999999999999996 114.946 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 11.2 m-20 -68.52 75.55 0.27 Allowed 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.173 -0.922 . . . . 1.6399999999999999 110.041 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -50.87 -28.0 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.757 0.651 . . . . 4.7599999999999998 112.757 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 77.2 m -74.28 -60.56 2.21 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.378 0.51 . . . . 0.69999999999999996 112.378 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.46 -23.22 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.255 0.835 . . . . 0.54000000000000004 113.255 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 42.4 mt-30 -75.5 -44.85 41.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.89 0.314 . . . . 1.49 111.129 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -65.91 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.499 -0.926 . . . . 2.52 108.499 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 53' ' ' ALA . 12.1 tp -65.97 -70.25 0.25 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.112 -1.404 . . . . 0.57999999999999996 110.527 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.06 -0.973 . . . . 1.02 111.981 -178.713 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 120.968 0.32 . . . . 1.3 111.7 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 55' ' ' GLN . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' B' ' 56' ' ' LEU . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 121.081 0.467 . . . . 0.78000000000000003 109.781 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.45 HG22 HD21 ' B' ' 50' ' ' ASN . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.444 ' CD2' ' HD2' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' B' ' 50' ' ' ASN . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD23 HD23 ' A' ' 56' ' ' LEU . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 ttp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.425 -0.213 . . . . 6.4100000000000001 110.425 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -108.07 98.84 28.09 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.791 -0.448 . . . . 4.7300000000000004 109.791 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.66 86.22 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.183 1.922 . . . . 1.3 111.223 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.782 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 58.8 t -68.82 132.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.476 -0.783 . . . . 0.54000000000000004 109.539 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.1 p -105.47 169.61 8.36 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.79 -0.641 . . . . 0.40999999999999998 110.122 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.959 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.85 0.357 . . . . 0.28999999999999998 111.047 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -76.77 -35.59 57.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.532 -0.544 . . . . 0.48999999999999999 109.532 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' HB2' HG13 ' A' ' 4' ' ' VAL . 14.2 m-20 -69.31 -37.58 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 1.75 109.766 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.64 -43.58 70.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.776 . . . . 0.22 109.871 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.88 75.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.285 -0.87 . . . . 0.29999999999999999 110.575 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -34.8 69.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.634 -0.712 . . . . 2.21 110.885 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 45' ' ' LEU . 23.9 t80 -77.62 -39.28 45.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 1.49 111.35 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 37' ' ' LYS . . . -84.54 -13.8 50.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.402 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.76 36.44 53.14 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.703 -0.76 . . . . 0.52000000000000002 111.329 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 13' ' ' ALA . 21.8 m -123.56 -166.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.535 . . . . 0.35999999999999999 110.111 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.477 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 26.1 p -100.18 155.85 17.52 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.959 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 49.7 p90 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 1.3200000000000001 109.808 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.0 tp60 -68.0 -38.31 82.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.554 -0.748 . . . . 1.0900000000000001 109.021 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 23' ' ' VAL . 90.3 m -63.37 -45.61 90.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.48999999999999999 109.49 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.7 t -58.14 -49.92 79.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.25 110.506 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -35.68 76.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 0.87 110.946 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.88 ' HB3' HG22 ' A' ' 30' ' ' VAL . 77.5 mtt-85 -68.83 -30.73 69.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.403 -0.362 . . . . 2.0299999999999998 110.378 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.5 t -76.86 -41.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.44 109.889 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.6 t -64.95 -41.7 92.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.818 -0.628 . . . . 0.40999999999999998 110.309 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.529 HD21 ' P ' ' D' ' 15' ' ' ' DT' . 14.8 m-80 -74.91 -40.88 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.517 -0.765 . . . . 1.72 111.853 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.476 HE22 ' NE ' ' A' ' 35' ' ' ARG . 23.6 mm-40 62.49 64.59 0.92 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.598 -0.519 . . . . 4.8799999999999999 109.598 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.75 -84.22 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.315 0.487 . . . . 2.27 112.315 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.3 168.02 20.73 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.283 -0.26 . . . . 1.52 110.934 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.81 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 5.3 m170 65.27 25.99 12.21 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.396 0.678 . . . . 0.76000000000000001 112.103 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.88 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -120.56 129.23 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 1.1599999999999999 111.385 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.5 p -98.56 152.87 19.11 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 1.3 108.938 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.96 71.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.947 0.403 . . . . 1.0600000000000001 110.685 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -57.4 -52.42 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.709 -0.678 . . . . 3.3900000000000001 111.248 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.4 p -77.21 -32.15 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.65000000000000002 112.153 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.476 ' NE ' HE22 ' A' ' 26' ' ' GLN . 16.1 ttt180 -58.33 -49.76 76.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.113 0.482 . . . . 3.3100000000000001 111.016 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -70.06 -20.81 63.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 1.45 111.664 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.65 ' HG2' ' HB1' ' A' ' 13' ' ' ALA . 23.8 ttpt -82.11 -35.33 28.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.269 0.557 . . . . 0.97999999999999998 110.202 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.6 t -75.53 -42.25 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.521 -0.763 . . . . 0.35999999999999999 110.672 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 38.1 mt-10 -64.75 -27.47 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.231 0.538 . . . . 1.5900000000000001 110.358 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.17 28.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.413 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -69.66 -39.72 76.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.233 -0.439 . . . . 0.37 111.246 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.883 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 16.7 ptp -71.25 -8.42 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.39000000000000001 110.725 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.44 -25.0 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.41 0.624 . . . . 0.53000000000000003 109.979 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -75.75 -52.36 10.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.197 -0.911 . . . . 1.3600000000000001 110.687 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -83.79 -8.49 59.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.068 -0.969 . . . . 1.8799999999999999 112.052 -178.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 63.63 64.98 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.563 0.697 . . . . 2.0099999999999998 109.689 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.883 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 14.1 t80 -77.13 133.37 39.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.944 -1.025 . . . . 1.1599999999999999 111.346 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.49 109.48 48.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.253 -0.885 . . . . 1.1599999999999999 110.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.85 123.27 12.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.788 2.325 . . . . 0.55000000000000004 111.449 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.408 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 63.3 m-80 -85.63 109.63 18.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.856 0.36 . . . . 0.54000000000000004 111.005 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.35 -26.08 55.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.483 . . . . 5.04 110.418 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.6 OUTLIER -70.77 -40.5 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.332 0.587 . . . . 0.82999999999999996 109.744 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.26 -31.48 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.304 -0.862 . . . . 0.45000000000000001 109.497 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 53.6 tt0 -67.76 -42.91 81.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.422 -0.808 . . . . 1.21 109.596 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.34 -36.6 84.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 2.0099999999999998 110.127 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.1 tp -72.75 -50.69 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.615 . . . . 0.51000000000000001 110.843 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -58.45 -34.5 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.631 -0.713 . . . . 0.48999999999999999 111.132 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.05 24.15 26.04 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.76 -0.734 . . . . 1.1399999999999999 111.858 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.6 tttm 69.62 104.62 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.462 0.705 . . . . 6.3499999999999996 110.548 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.95 113.11 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.566 -0.743 . . . . 6.5 111.61 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.81 161.1 17.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 7.21 110.595 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.494 -0.765 . . . . 9.6300000000000008 110.238 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.495 ' HG3' ' HG3' ' B' ' 2' ' ' LYS . 17.8 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.401 -0.222 . . . . 7.5 110.401 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 24.5 mtmm 56.78 69.92 1.58 Allowed Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 122.75 0.42 . . . . 4.8700000000000001 111.573 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.82 172.52 14.91 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.343 2.029 . . . . 1.49 112.091 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 95.4 t -123.32 130.67 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.78000000000000003 109.11 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 18.2 p -88.59 167.79 13.1 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.47 -0.332 . . . . 0.5 110.525 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.751 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -76.95 -8.49 57.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.3 -1.37 . . . . 0.65000000000000002 107.3 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.813 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 28.8 m-85 -78.38 -38.96 40.56 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 113.726 -1.579 . . . . 1.27 109.402 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.37 -41.61 96.61 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.527 -0.761 . . . . 1.3100000000000001 110.018 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.458 ' HA ' HD23 ' B' ' 45' ' ' LEU . 69.9 t -60.38 -44.92 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.121 -0.945 . . . . 0.28000000000000003 110.689 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -65.0 -46.83 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.37 111.036 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.05 -42.09 84.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.468 -0.787 . . . . 2.3399999999999999 111.623 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.491 ' CB ' HD21 ' B' ' 45' ' ' LEU . 64.1 t80 -72.22 -41.04 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.119 0.485 . . . . 1.5800000000000001 110.623 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.408 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.45 -23.63 65.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.64000000000000001 111.543 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.4 22.41 51.29 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.58999999999999997 112.014 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.432 HG11 HG22 ' B' ' 34' ' ' THR . 29.2 m -121.38 172.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.801 0.334 . . . . 0.5 110.207 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.49 152.72 41.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.781 -0.822 . . . . 0.64000000000000001 108.781 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.519 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.02 -22.49 66.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 1.49 110.767 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 35.1 mt-30 -74.11 -26.84 60.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.96999999999999997 109.988 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.67 -28.81 70.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.865 -0.607 . . . . 0.54000000000000004 109.39 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 t -73.86 -49.11 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.458 -0.942 . . . . 0.44 108.458 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.442 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 38.7 t -48.86 -37.32 19.2 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 121.173 0.511 . . . . 1.29 109.994 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' B' ' 30' ' ' VAL . 35.7 mmt180 -62.37 -61.56 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.767 . . . . 2.6600000000000001 110.494 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.686 HG22 HG11 ' B' ' 30' ' ' VAL . 61.5 t -56.62 -36.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.45 . . . . 0.73999999999999999 111.449 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.48 -33.65 45.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.859 -0.609 . . . . 0.89000000000000001 112.033 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.52 -73.26 0.65 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 113.243 0.831 . . . . 1.6799999999999999 113.243 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.66 86.05 7.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.679 -0.692 . . . . 4.0300000000000002 110.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -11.99 12.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.511 -0.768 . . . . 2.1499999999999999 111.654 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 30' ' ' VAL . 7.8 p -68.42 150.14 48.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.98 109.666 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.67 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 60.3 25.6 15.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.978 0.511 . . . . 1.3100000000000001 110.268 -178.011 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.686 HG11 HG22 ' B' ' 23' ' ' VAL . 47.4 t -126.48 105.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.762 -0.458 . . . . 1.22 109.762 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.08 154.85 41.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.567 -0.742 . . . . 1.4199999999999999 110.311 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.31 73.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.421 -0.354 . . . . 1.0700000000000001 110.44 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 14.4 tppt? -53.24 -56.66 14.73 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.179 -0.464 . . . . 3.2999999999999998 111.207 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.432 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.22 -39.32 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.345 . . . . 0.79000000000000004 111.571 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.575 ' HG3' HG13 ' B' ' 23' ' ' VAL . 29.6 ttm180 -59.28 -47.19 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 3.21 111.082 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.51 -40.46 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 2.0899999999999999 111.424 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 74.2 mttt -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.471 -0.331 . . . . 1.6599999999999999 111.199 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 34' ' ' THR . 88.2 t -65.74 -43.43 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 0.42999999999999999 110.422 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.23 -41.33 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 1.79 111.081 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.54 -36.82 76.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.69999999999999996 110.951 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.45 71.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.46999999999999997 111.207 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.2 mtt -61.22 -26.1 67.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.52000000000000002 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.44 -30.93 14.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.932 0.396 . . . . 0.62 110.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.84 -52.34 63.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.164 0.507 . . . . 1.55 110.852 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.7 OUTLIER -84.35 -15.44 46.43 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.791 -0.64 . . . . 0.98999999999999999 110.964 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.475 ' O ' HG13 ' B' ' 48' ' ' ILE . 1.4 t30 67.4 58.17 0.54 Allowed 'General case' 0 N--CA 1.46 0.044 0 N-CA-C 107.48 -1.304 . . . . 1.77 107.48 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -50.82 113.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.076 -1.42 . . . . 1.3300000000000001 113.566 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.698 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 61.4 mt -123.2 94.39 47.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 114.524 -1.216 . . . . 1.28 107.875 176.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -38.67 138.81 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 124.256 3.304 . . . . 0.82999999999999996 114.976 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.498 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -62.59 97.13 0.09 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.281 -0.872 . . . . 1.6399999999999999 109.216 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 51' ' ' ARG . 52.0 mtm-85 -55.25 -32.93 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.117 0.414 . . . . 4.7599999999999998 112.117 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 35.0 m -81.74 -56.8 3.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.925 0.342 . . . . 0.69999999999999996 111.925 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.568 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -66.52 -38.88 88.15 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.434 0.902 . . . . 0.54000000000000004 113.434 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.407 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 12.9 mt-30 -71.18 -46.94 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.055 -0.258 . . . . 1.49 111.362 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 15.7 tm0? -57.75 -37.06 72.95 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.681 0.753 . . . . 2.52 108.992 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 1.033 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.4 tp -66.11 -66.65 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.318 -1.31 . . . . 0.57999999999999996 111.13 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.688 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -51.5 -31.58 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 124.172 0.92 . . . . 1.02 113.081 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.02 45.36 0.34 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.138 -1.03 . . . . 2.1299999999999999 113.6 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -153.77 65.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.21 0.528 . . . . 5.0700000000000003 110.627 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -71.11 -50.05 37.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.798 -0.637 . . . . 7.3399999999999999 109.942 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m 48.14 63.51 2.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.841 -0.618 . . . . 6.96 112.209 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.0 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.313 -0.851 . . . . 7.96 111.188 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.577 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 O4'-C1'-C2' 107.095 0.905 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.401 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.798 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.206 1.006 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.798 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.499 0 O4'-C1'-C2' 107.166 0.969 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.81 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 N19-C1'-C2' 116.642 1.526 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.477 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-N19 108.644 1.055 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.403 ' OP2' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.983 0.803 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.46 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.04 0.855 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C4'-C3'-C2' 102.24 -0.96 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.463 ' OP2' H2'' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.427 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.465 -0.735 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.614 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.096 0 C2'-C3'-O3' 115.794 1.924 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.813 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.902 2.627 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.751 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.491 0 O4'-C1'-N19 105.884 -2.395 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.442 ' H73' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 P-O3'-C3' 120.824 0.937 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.406 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C4'-C3'-C2' 102.332 -0.868 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.406 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 102.273 -0.927 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 O4'-C1'-C2' 106.983 0.803 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 102.17 -1.03 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.565 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.565 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 102.315 -0.885 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.452 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.126 0.933 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.426 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.432 -0.498 0 N19-C1'-C2' 115.846 1.029 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.421 ' C8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 O4'-C1'-C2' 107.123 0.93 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.051 0.865 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.069 0.881 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.67 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 N19-C1'-C2' 116.072 1.17 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 N19-C1'-C2' 116.172 1.232 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.621 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 C4'-C3'-C2' 102.248 -0.952 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.621 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.151 0.956 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.491 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.138 0.943 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.491 " H5'" " H1'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 O4'-C1'-N19 108.51 0.888 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.461 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 108.726 1.157 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.418 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.748 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-O3' 113.722 1.555 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 1.033 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 N19-C1'-C2' 116.541 1.463 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.613 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.615 2.269 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.593 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 102.417 -0.783 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.409 " H1'" " H5'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.142 0.948 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.435 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 102.402 -0.798 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.435 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.067 0.879 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 102.338 -0.862 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.5 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.072 0.884 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.508 " C2'" ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 N19-C1'-C2' 115.663 0.914 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.508 ' H71' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.03 0.845 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . 0.427 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.01 0.827 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttm . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.38 -0.23 . . . . 6.4100000000000001 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 52.2 mttp -77.64 117.96 68.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 4.7300000000000004 110.275 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 19.6 Cg_exo -65.8 138.19 52.41 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.193 2.596 . . . . 1.3 112.202 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.974 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.3 t -85.07 137.89 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.857 -0.611 . . . . 0.54000000000000004 109.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.537 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -104.24 168.7 8.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.882 -0.599 . . . . 0.40999999999999998 110.32 -179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.829 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -63.15 -16.65 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.28999999999999998 111.233 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 73.6 m-85 -75.94 -38.7 57.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.48999999999999999 110.301 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.75 78.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.75 110.183 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.32 -41.64 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.686 -0.688 . . . . 0.22 109.59 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.24 -43.27 96.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.29999999999999999 111.073 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.6 mm-40 -66.18 -30.73 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 2.21 111.423 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 31.4 t80 -80.98 -35.11 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.692 0.282 . . . . 1.49 111.191 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.09 -11.42 52.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.46000000000000002 111.443 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 38.82 53.52 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.979 -0.848 . . . . 0.52000000000000002 110.979 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.0 m -132.61 -169.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.481 . . . . 0.35999999999999999 110.178 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -98.1 154.76 17.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.851 -0.613 . . . . 1.26 109.64 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.829 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 40.9 p90 -58.34 -32.49 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 1.3200000000000001 110.504 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.716 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -67.3 -36.31 81.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.86 -0.609 . . . . 1.0900000000000001 110.075 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -61.7 -43.77 98.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.094 -0.706 . . . . 0.48999999999999999 109.094 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.605 ' HA ' HG11 ' A' ' 38' ' ' VAL . 69.2 t -60.32 -45.98 95.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.702 -1.135 . . . . 0.25 109.957 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -58.78 -36.06 73.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.87 110.984 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 30' ' ' VAL . 33.3 mmt180 -63.09 -38.12 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.109 0.481 . . . . 2.0299999999999998 109.737 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG21 ' HB ' ' A' ' 38' ' ' VAL . 59.9 t -75.56 -42.75 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.427 -0.806 . . . . 0.44 111.049 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.8 t -64.04 -43.79 97.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.923 -0.581 . . . . 0.40999999999999998 110.392 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -31.11 64.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 1.72 111.407 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.45 35.11 14.98 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.494 0.664 . . . . 4.8799999999999999 109.907 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.15 -137.15 0.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.12 -0.945 . . . . 2.27 111.102 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 m -92.28 170.79 9.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.443 -0.344 . . . . 1.52 110.967 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.718 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.2 m170 64.99 32.8 10.24 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.544 0.738 . . . . 0.76000000000000001 112.016 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -123.61 116.67 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.185 0.517 . . . . 1.1599999999999999 111.84 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.453 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 90.7 p -90.43 152.35 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.763 -0.653 . . . . 1.3 109.337 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.86 -34.54 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 1.0600000000000001 110.55 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.94 -52.77 47.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.779 -0.646 . . . . 3.3900000000000001 111.276 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.776 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -81.88 -30.92 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.65000000000000002 111.835 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 35' ' ' ARG . 31.0 ttm180 -57.53 -38.71 75.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 3.3100000000000001 111.094 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.5 mt-10 -79.05 -28.76 43.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.677 0.621 . . . . 1.45 112.677 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.2 ptpt -82.42 -31.27 29.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.187 -0.605 . . . . 0.97999999999999998 110.823 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.9 t -75.88 -39.51 37.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.21 -0.45 . . . . 0.35999999999999999 110.329 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.49 -30.75 71.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.253 0.549 . . . . 1.5900000000000001 109.963 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.1 -41.73 27.96 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.545 -0.752 . . . . 0.52000000000000002 110.682 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.87 92.04 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.98 0.419 . . . . 0.37 111.555 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 21.0 ptp -71.65 -8.64 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.39000000000000001 111.26 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.03 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 0.53000000000000003 109.984 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 mm-40 -72.65 -56.62 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.3600000000000001 110.805 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -80.03 -9.68 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.824 -1.08 . . . . 1.8799999999999999 112.273 -178.094 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 68.34 63.02 0.36 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.713 0.768 . . . . 2.0099999999999998 109.173 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.974 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.4 t80 -66.79 138.53 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.743 -1.117 . . . . 1.1599999999999999 111.714 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mm -112.3 105.87 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.525 -0.761 . . . . 1.1599999999999999 110.916 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 108.06 2.02 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.693 2.262 . . . . 0.55000000000000004 111.338 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 61.1 m-80 -77.8 101.91 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 0.54000000000000004 111.433 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.3 mmt180 -71.09 -23.86 62.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 5.04 110.421 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.653 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -73.77 -39.42 64.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.82999999999999996 109.51 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.22 -32.02 71.94 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.45000000000000001 109.491 177.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.26 -37.41 87.12 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.155 -0.93 . . . . 1.21 110.002 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 85.4 mm-40 -67.63 -37.73 82.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.748 -0.66 . . . . 2.0099999999999998 110.536 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.8 tp -74.37 -53.38 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.582 -0.736 . . . . 0.51000000000000001 111.21 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.551 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.31 -35.18 76.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.48999999999999999 112.351 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' HA2' " H4'" ' D' ' 15' ' ' ' DT' . . . -72.6 -2.47 55.96 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 1.1399999999999999 113.056 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 55.45 31.57 17.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.085 0.469 . . . . 6.3499999999999996 110.297 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 56.13 36.37 27.28 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.199 -0.91 . . . . 6.5 111.077 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -142.13 74.43 1.45 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.641 -0.708 . . . . 7.21 110.63 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.295 -0.859 . . . . 9.6300000000000008 110.464 -179.734 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.6 mtt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.876 0.37 . . . . 7.5 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -124.84 157.66 65.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.075 -0.713 . . . . 4.8700000000000001 109.075 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.763 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 14.2 Cg_exo -70.38 80.08 1.09 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.532 2.155 . . . . 1.49 111.059 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.744 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.8 t -57.85 132.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.242 -0.89 . . . . 0.78000000000000003 109.975 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.1 p -87.68 172.3 9.8 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.362 -0.381 . . . . 0.5 110.157 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.784 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -76.21 -12.23 60.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 179.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.754 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 19.6 m-85 -76.24 -44.44 37.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.335 -1.302 . . . . 1.27 109.054 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.441 ' HB2' HG13 ' B' ' 4' ' ' VAL . 32.1 m-20 -64.14 -41.29 97.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 110.347 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 5' ' ' THR . 64.9 t -58.72 -41.23 81.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.98 -0.554 . . . . 0.28000000000000003 110.721 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.58 -52.93 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.556 -0.747 . . . . 0.37 111.728 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.6 mt-10 -60.44 -37.51 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.3399999999999999 111.233 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.454 ' CD1' HD21 ' B' ' 45' ' ' LEU . 87.4 t80 -64.08 -38.85 92.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 1.5800000000000001 110.718 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.706 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -76.96 -26.53 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.017 -0.538 . . . . 0.64000000000000001 111.234 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 -1.66 52.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.082 -0.58 . . . . 0.58999999999999997 112.221 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -95.34 178.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 122.277 0.231 . . . . 0.5 110.738 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -81.05 154.36 26.89 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.428 -0.952 . . . . 0.64000000000000001 108.428 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.62 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.05 -18.7 63.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.867 0.365 . . . . 1.49 111.01 -179.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.545 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 33.9 mt-30 -83.16 -17.37 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.96999999999999997 110.611 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -65.85 -29.87 70.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.102 -1.074 . . . . 0.54000000000000004 108.102 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.42 HG13 ' CG1' ' B' ' 38' ' ' VAL . 5.1 t -72.85 -50.75 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.891 -1.05 . . . . 0.44 108.793 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.467 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 1.8 m -47.12 -36.99 9.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.925 -0.58 . . . . 1.29 111.249 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -56.67 -60.69 3.18 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.505 -0.771 . . . . 2.6600000000000001 111.229 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 14.1 t -65.45 -36.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.242 -0.435 . . . . 0.73999999999999999 111.787 -178.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.74 -38.15 77.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.888 -0.596 . . . . 0.89000000000000001 112.255 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.452 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 42.1 m-80 -98.2 -75.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.513 . . . . 1.6799999999999999 111.397 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' B' ' 26' ' ' GLN . 4.2 mm100 -118.29 84.98 2.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.615 -0.72 . . . . 4.0300000000000002 109.4 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.643 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . -50.77 95.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.079 0.862 . . . . 2.1499999999999999 112.131 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.0 p -167.99 -178.41 3.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.599 -1.26 . . . . 1.98 107.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.865 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 2.7 m170 59.32 32.92 22.25 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.222 0.534 . . . . 1.3100000000000001 109.883 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.27 136.52 56.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 1.22 109.089 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 41.26 0.95 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.552 -0.295 . . . . 1.4199999999999999 111.56 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 67.84 -61.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.579 0.751 . . . . 1.0700000000000001 111.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -59.17 -36.64 75.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 3.2999999999999998 110.837 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -64.64 -45.11 88.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.79000000000000004 110.334 179.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -62.63 -46.55 87.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.965 -0.562 . . . . 3.21 110.536 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.12 -38.59 91.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.62 -0.718 . . . . 2.0899999999999999 110.893 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.706 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.6 ttpt -66.55 -38.68 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 1.6599999999999999 111.287 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 34' ' ' THR . 95.2 t -70.8 -49.69 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.42999999999999999 110.632 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.24 -38.99 85.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.769 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.02 -40.13 83.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.69999999999999996 110.358 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.71 68.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.18 0.514 . . . . 0.46999999999999997 110.808 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtt -64.0 -21.72 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.452 -0.794 . . . . 0.52000000000000002 110.484 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.48 -33.17 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.62 111.213 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.4 mm-40 -62.07 -44.65 96.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.263 -0.426 . . . . 1.55 111.132 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -99.28 -9.57 23.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.98999999999999999 111.827 -179.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t30 67.36 65.73 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.789 -0.819 . . . . 1.77 108.789 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.744 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.8 t80 -56.62 119.99 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.755 -1.111 . . . . 1.3300000000000001 112.352 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.763 ' HB ' ' HA ' ' B' ' 3' ' ' PRO . 35.1 mm -124.89 96.01 41.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 107.971 -1.122 . . . . 1.28 107.971 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.01 134.75 10.86 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.244 2.63 . . . . 0.82999999999999996 113.326 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.9 m120 -58.17 95.73 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.726 -0.67 . . . . 1.6399999999999999 109.907 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -51.23 -32.51 24.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.002 0.741 . . . . 4.7599999999999998 113.002 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.653 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.9 m -81.63 -54.41 5.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.946 0.351 . . . . 0.69999999999999996 111.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -72.94 -37.02 67.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.182 0.808 . . . . 0.54000000000000004 113.182 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.571 ' HB3' ' HG2' ' B' ' 59' ' ' LYS . 6.9 mm-40 -68.0 -54.47 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.417 0.155 . . . . 1.49 111.417 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -58.65 -32.0 68.68 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.083 0.468 . . . . 2.52 110.307 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.979 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -67.24 -65.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.811 -1.086 . . . . 0.57999999999999996 110.46 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.738 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -55.06 -37.66 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.305 1.003 . . . . 1.02 112.575 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.81 -54.39 0.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.397 -0.906 . . . . 2.1299999999999999 112.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' B' ' 54' ' ' GLN . 5.7 tmtt? 62.83 89.5 0.09 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.352 0.596 . . . . 5.0700000000000003 110.976 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.87 131.52 53.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.554 -0.748 . . . . 7.3399999999999999 109.916 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -133.81 105.39 6.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 6.96 110.353 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.302 -0.856 . . . . 7.96 110.367 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.48 0 O4'-C1'-C2' 107.183 0.985 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.464 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 102.216 -0.984 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.666 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.888 0 N19-C1'-C2' 115.782 0.988 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.666 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 107.146 0.951 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.718 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.44 0.694 0 N19-C1'-C2' 116.405 1.378 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.514 H2'' ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 O4'-C1'-N19 108.609 1.011 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.514 ' H71' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.442 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-C2' 107.055 0.869 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.442 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 102.243 -0.957 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.431 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-N19 108.554 0.943 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.503 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C4'-C3'-C2' 102.33 -0.87 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.695 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.251 0 C2'-C3'-O3' 115.63 1.863 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.754 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-N19 109.749 2.437 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.784 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.408 0 C5'-C4'-C3' 118.084 2.256 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.484 ' OP2' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 P-O3'-C3' 120.981 1.067 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.442 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.591 0.988 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.449 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 106.929 0.754 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.424 ' C6 ' ' N6 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.242 1.039 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.541 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.541 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.151 0.956 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.474 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 N19-C1'-C2' 115.549 0.843 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.416 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.702 0.938 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.425 ' C8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.075 0.886 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.406 " H5'" " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.238 -0.962 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.623 " H2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.163 0.966 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.632 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 115.889 1.055 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.865 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.442 0.812 0 C2'-C3'-O3' 114.504 1.446 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.58 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 P-O3'-C3' 120.912 1.01 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.58 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 115.955 0.837 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.411 ' C4 ' ' N6 ' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C5'-C4'-C3' 116.21 1.007 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C2'-C3'-O3' 113.368 1.025 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-N19 108.512 0.89 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.407 ' OP2' H2'' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.819 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.735 0 C4'-C3'-O3' 113.295 1.361 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.979 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 N19-C1'-C2' 116.253 1.283 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.638 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 109.519 2.148 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.551 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.185 0 C5'-C4'-C3' 116.122 0.948 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.512 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.11 0.919 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.434 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 102.406 -0.794 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.434 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.08 0.891 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.222 -0.978 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.509 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.151 -1.049 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.509 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.08 0.891 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.454 ' H72' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.356 -0.844 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 106.958 0.78 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.994 0.425 . . . . 6.4100000000000001 110.625 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -120.91 104.71 41.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.283 0.563 . . . . 4.7300000000000004 110.965 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.16 114.23 3.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.851 2.367 . . . . 1.3 111.647 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.899 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 98.5 t -71.75 142.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 0.54000000000000004 110.168 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.5 p -106.69 165.14 11.52 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.674 -0.694 . . . . 0.40999999999999998 110.003 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.967 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.1 pt? -67.02 -12.92 61.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.774 0.321 . . . . 0.28999999999999998 110.592 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -77.49 -37.67 50.7 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.064 -0.517 . . . . 0.48999999999999999 109.659 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.88 -39.15 83.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.725 -0.67 . . . . 1.75 109.691 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.18 -44.12 81.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.22 110.052 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.8 92.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.482 -0.781 . . . . 0.29999999999999999 110.9 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.26 -32.22 69.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 2.21 111.124 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.66 -35.12 39.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 1.49 111.377 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.15 -11.84 48.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.963 0.411 . . . . 0.46000000000000002 111.068 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.31 31.95 53.27 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 111.398 -0.681 . . . . 0.52000000000000002 111.398 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 13' ' ' ALA . 31.4 m -124.12 -166.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.373 . . . . 0.35999999999999999 110.279 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.472 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 27.3 p -104.52 155.15 19.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.327 -0.619 . . . . 1.26 109.327 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.967 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.6 p90 -61.04 -30.19 70.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.977 0.418 . . . . 1.3200000000000001 110.291 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HB3' ' H71' ' C' ' 7' ' ' ' DT' . 7.8 tp60 -68.4 -36.76 79.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.129 -0.693 . . . . 1.0900000000000001 109.129 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 86.3 m -64.01 -40.9 97.37 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.148 -0.686 . . . . 0.48999999999999999 109.148 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 63.2 t -59.64 -48.77 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.219 -0.901 . . . . 0.25 109.427 177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -61.96 -35.37 78.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.914 -0.584 . . . . 0.87 110.146 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.817 ' HG3' HG22 ' A' ' 30' ' ' VAL . 9.0 tpp180 -62.9 -35.94 81.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 2.0299999999999998 110.069 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.643 HG13 ' HG3' ' A' ' 35' ' ' ARG . 99.0 t -80.79 -46.18 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.593 -0.73 . . . . 0.44 111.089 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 59.8 t -63.27 -42.51 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.998 -0.547 . . . . 0.40999999999999998 111.34 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -23.61 54.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.929 0.395 . . . . 1.72 111.065 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 59.55 46.5 12.0 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.42 -0.809 . . . . 4.8799999999999999 110.28 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.14 -141.58 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.27 111.099 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.56 176.32 6.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.846 -0.427 . . . . 1.52 109.846 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.754 ' CG ' ' H72' ' C' ' 4' ' ' ' DT' . 0.4 OUTLIER 59.81 33.29 21.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.39 0.515 . . . . 0.76000000000000001 112.39 -179.615 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -118.45 122.99 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.506 -0.478 . . . . 1.1599999999999999 111.257 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.0 p -101.64 151.93 21.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.743 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.21 77.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.935 0.346 . . . . 1.0600000000000001 111.935 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -53.83 -49.02 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.176 -0.465 . . . . 3.3900000000000001 111.29 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.613 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -79.06 -36.18 41.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.969 -0.559 . . . . 0.65000000000000002 111.64 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.643 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.3 ttt180 -55.04 -49.18 72.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 3.3100000000000001 111.87 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.7 -30.25 66.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.06 0.763 . . . . 1.45 113.06 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.6 ptpt -79.42 -27.71 41.73 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.229 -0.588 . . . . 0.97999999999999998 110.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 20' ' ' VAL . 97.0 t -80.57 -41.34 20.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.228 -0.442 . . . . 0.35999999999999999 110.082 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.98 -26.79 68.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 1.5900000000000001 110.041 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -41.84 18.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.591 -0.731 . . . . 0.52000000000000002 110.826 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.24 86.9 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.37 111.21 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.798 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 23.3 ptp -72.49 -9.25 58.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.39000000000000001 110.564 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.53 -20.46 20.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 0.53000000000000003 109.941 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -76.13 -56.3 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.325 -0.852 . . . . 1.3600000000000001 110.764 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.25 -11.19 59.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.677 -1.147 . . . . 1.8799999999999999 111.066 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 66.65 64.83 0.48 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.494 -0.775 . . . . 2.0099999999999998 109.365 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 14.6 t80 -76.17 129.44 36.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.798 -1.092 . . . . 1.1599999999999999 111.145 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.64 110.4 49.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 1.1599999999999999 109.952 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.49 114.93 2.16 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.55000000000000004 111.547 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -75.1 103.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.54000000000000004 110.895 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.7 -22.96 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 5.04 110.878 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.769 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -71.89 -40.41 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.43 -0.582 . . . . 0.82999999999999996 109.43 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.616 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -72.48 -30.19 64.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.45000000000000001 109.83 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.89 -37.27 84.09 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.692 -0.685 . . . . 1.21 109.826 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -72.03 -24.16 61.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.244 0.545 . . . . 2.0099999999999998 110.171 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD11 " O4'" ' C' ' 12' ' ' ' DG' . 13.1 tp -81.05 -54.61 5.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.51000000000000001 110.062 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.52 -34.89 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.508 -0.769 . . . . 0.48999999999999999 111.13 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' C ' ' HG2' ' A' ' 59' ' ' LYS . . . -80.38 -0.36 86.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.839 -0.696 . . . . 1.1399999999999999 112.431 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG2' ' C ' ' A' ' 58' ' ' GLY . 4.7 ptpp? 39.81 -138.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.114 0.966 . . . . 6.3499999999999996 112.052 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -102.37 83.53 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 6.5 110.735 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -124.83 101.73 7.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 7.21 110.552 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--O 1.252 1.217 0 CA-C-O 118.081 -0.961 . . . . 9.6300000000000008 110.865 -179.37 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.384 -0.228 . . . . 7.5 110.384 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt 62.09 70.56 0.82 Allowed Pre-proline 0 C--O 1.234 0.283 0 O-C-N 123.887 0.742 . . . . 4.8700000000000001 111.615 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -79.04 115.25 3.5 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.425 2.083 . . . . 1.49 112.222 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 66.4 t -83.55 145.34 8.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.909 -0.587 . . . . 0.78000000000000003 110.045 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.421 HG22 ' ND2' ' B' ' 50' ' ' ASN . 17.6 p -96.08 166.57 11.69 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.005 -0.543 . . . . 0.5 110.299 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.731 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -77.68 -10.91 59.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.632 -1.247 . . . . 0.65000000000000002 107.632 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.764 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 25.9 m-85 -76.0 -40.8 52.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 113.535 -1.666 . . . . 1.27 109.748 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -60.72 -38.45 85.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.684 -0.689 . . . . 1.3100000000000001 110.33 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.698 ' HA ' HD23 ' B' ' 45' ' ' LEU . 45.5 t -63.83 -39.2 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.254 -0.884 . . . . 0.28000000000000003 110.967 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.597 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -72.59 -48.84 36.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.37 111.744 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.9 -31.33 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.694 -0.685 . . . . 2.3399999999999999 111.965 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -79.37 -38.77 34.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.345 -0.388 . . . . 1.5800000000000001 111.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.49 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -74.44 -21.99 59.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.4 . . . . 0.64000000000000001 111.893 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.36 38.15 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.974 -0.632 . . . . 0.58999999999999997 112.597 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.499 HG11 HG22 ' B' ' 34' ' ' THR . 21.1 m -119.14 179.15 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.953 -0.388 . . . . 0.5 109.953 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -75.72 156.62 34.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.589 -0.893 . . . . 0.64000000000000001 108.589 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.597 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -63.68 -22.14 66.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.461 0.648 . . . . 1.49 109.364 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -76.06 -23.87 55.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.608 -0.724 . . . . 0.96999999999999997 110.646 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.8 m -62.41 -36.87 83.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.006 -0.739 . . . . 0.54000000000000004 109.006 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.471 ' HA ' HG11 ' B' ' 38' ' ' VAL . 62.1 t -75.37 -39.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.947 -1.024 . . . . 0.44 108.863 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 1.9 t -57.37 -34.17 68.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.416 -0.811 . . . . 1.29 110.462 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 22.4 mmt180 -64.44 -48.07 76.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.679 -0.691 . . . . 2.6600000000000001 111.074 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.894 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 9.2 t -67.16 -38.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 0.73999999999999999 110.104 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 20.7 t -65.62 -37.58 80.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 0.89000000000000001 111.142 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.29 -74.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 1.6799999999999999 110.961 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' B' ' 26' ' ' GLN . 7.2 mt-30 -146.35 16.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.786 -0.643 . . . . 4.0300000000000002 110.712 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.894 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . 57.87 42.98 22.31 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.727 -0.67 . . . . 2.1499999999999999 110.881 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' B' ' 22' ' ' ARG . 7.9 t -111.19 156.52 21.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 1.98 109.677 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.8 OUTLIER 60.62 33.55 20.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.013 0.525 . . . . 1.3100000000000001 111.194 -178.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -135.21 123.49 39.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 178.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 171.94 12.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.279 -0.419 . . . . 1.4199999999999999 111.067 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.11 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.065 0.394 . . . . 1.0700000000000001 112.065 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -66.46 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.379 0.511 . . . . 3.2999999999999998 112.379 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.499 HG22 HG11 ' B' ' 15' ' ' VAL . 0.7 OUTLIER -95.88 -44.9 7.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.91 0.708 . . . . 0.79000000000000004 112.91 -178.117 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 75.9 ttt180 -57.03 -53.39 58.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.764 0.316 . . . . 3.21 111.378 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.75 -28.25 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.386 -0.37 . . . . 2.0899999999999999 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 22.1 ttmm -69.72 -42.4 74.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.378 -0.374 . . . . 1.6599999999999999 110.149 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 20' ' ' VAL . 77.6 t -63.74 -49.44 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.42999999999999999 110.28 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 38.7 mt-10 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 1.79 110.86 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.74 63.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.69999999999999996 110.713 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.77 70.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.535 . . . . 0.46999999999999997 111.187 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 65.8 mtt -59.39 -26.71 65.34 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.222 -0.445 . . . . 0.52000000000000002 110.621 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.06 -38.71 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.515 . . . . 0.62 110.832 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.67 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.729 -0.669 . . . . 1.55 110.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.3 OUTLIER -86.08 -10.81 54.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.305 -0.407 . . . . 0.98999999999999999 111.748 -179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 62.03 51.48 3.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.146 -1.427 . . . . 1.77 107.146 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -59.27 108.77 0.74 Allowed 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 114.023 -1.444 . . . . 1.3300000000000001 113.245 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.47 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 44.1 mm -120.32 94.14 48.56 Favored Pre-proline 0 C--N 1.316 -0.881 0 N-CA-C 106.513 -1.662 . . . . 1.28 106.513 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.44 119.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 124.633 3.555 . . . . 0.82999999999999996 114.195 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.421 ' ND2' HG22 ' B' ' 5' ' ' THR . 3.4 p-10 -67.19 88.34 0.17 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.403 -0.817 . . . . 1.6399999999999999 110.339 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -51.41 -31.02 21.25 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.614 -1.175 . . . . 4.7599999999999998 112.697 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.769 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.9 m -54.82 -49.91 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.836 0.351 . . . . 0.69999999999999996 111.524 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.502 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -93.42 -24.09 18.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 0.54000000000000004 111.453 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.01 -40.07 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.555 -0.293 . . . . 1.49 110.855 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.88 -38.51 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.428 -0.952 . . . . 2.52 108.428 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.977 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 8.3 tp -58.0 -67.19 0.37 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.749 -1.114 . . . . 0.57999999999999996 110.203 177.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.784 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -69.64 -80.29 0.05 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 1.02 111.329 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' B' ' 59' ' ' LYS . . . 54.34 63.04 5.54 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 116.22 -0.445 . . . . 2.1299999999999999 113.338 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.474 ' HG2' " H4'" ' C' ' 15' ' ' ' DT' . 53.7 mttt 70.4 120.81 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.316 0.579 . . . . 5.0700000000000003 111.603 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -75.55 -20.73 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.654 . . . . 7.3399999999999999 110.755 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -138.12 128.4 26.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 6.96 109.882 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.36 -0.828 . . . . 7.96 110.674 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 O4'-C1'-C2' 107.185 0.986 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.243 1.039 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.754 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 N19-C1'-C2' 115.869 1.043 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.552 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 N19-C1'-C2' 116.338 1.336 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.472 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 C4'-C3'-C2' 102.328 -0.872 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C4'-C3'-C2' 102.324 -0.876 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.48 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.084 0.894 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.429 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 C4'-C3'-C2' 102.29 -0.91 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.429 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.405 ' C5 ' ' C4 ' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.477 -0.723 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.622 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.448 1.278 0 C2'-C3'-O3' 115.428 1.788 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.784 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C1'-N19 109.319 1.899 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.731 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.52 0 C5'-C4'-C3' 118.142 2.295 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.474 " H4'" ' HG2' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.077 0.888 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.086 0.896 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 102.308 -0.892 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.485 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 106.988 0.807 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.468 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.344 -0.856 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.533 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.28 -0.92 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.533 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.065 0.877 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.48 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.036 0.851 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.709 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O5'-C5'-C4' 111.461 0.9 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 107.1 0.909 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.545 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 O4'-C1'-C2' 107.197 0.997 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.561 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.431 -0.554 0 N19-C1'-C2' 116.355 1.347 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.457 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 N19-C1'-C2' 116.256 1.285 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.531 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 102.17 -1.03 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.531 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-C2' 107.025 0.841 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.415 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.401 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C5'-C4'-C3' 116.516 1.211 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.401 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 C4'-C3'-C2' 102.419 -0.781 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-C2' 107.088 0.898 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.711 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-O3' 113.157 1.299 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.977 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.052 0 N19-C1'-C2' 116.639 1.525 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.618 ' OP2' ' HB3' ' A' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.626 2.283 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.557 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 102.331 -0.869 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.443 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.006 0.824 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.41 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C4'-C3'-C2' 102.265 -0.935 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.41 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 107.154 0.959 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.392 -0.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.459 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O4'-C1'-C2' 107.126 0.932 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.502 H2'' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.391 0.739 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.502 ' H71' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . 0.461 ' N4 ' ' C4 ' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 N19-C1'-C2' 115.409 0.755 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.909 -0.404 . . . . 6.4100000000000001 109.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.586 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 28.4 mtpp -69.8 -52.73 13.06 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.517 -0.311 . . . . 4.7300000000000004 111.618 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 16.8 Cg_exo -66.75 134.38 34.8 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.854 1.703 . . . . 1.3 111.854 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.931 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 82.4 t -73.25 135.53 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.394 -0.595 . . . . 0.54000000000000004 109.394 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -105.39 174.23 5.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.26 -0.427 . . . . 0.40999999999999998 110.612 -178.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.76 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -65.16 -17.67 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.498 -0.319 . . . . 0.28999999999999998 110.563 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -75.17 -38.43 60.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.48999999999999999 109.944 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.648 ' HB2' HG13 ' A' ' 4' ' ' VAL . 53.5 m-20 -66.92 -38.73 86.75 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.13 0.491 . . . . 1.75 109.846 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.84 -44.61 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 0.22 109.754 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.85 92.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.027 -0.988 . . . . 0.29999999999999999 110.83 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.05 -32.91 69.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.067 -0.515 . . . . 2.21 111.787 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 45' ' ' LEU . 32.5 t80 -78.06 -35.89 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.575 -0.284 . . . . 1.49 111.477 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -86.46 -18.09 32.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.46000000000000002 111.38 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 36.69 15.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.685 -0.769 . . . . 0.52000000000000002 111.378 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' HD2' ' A' ' 37' ' ' LYS . 31.4 m -128.95 -174.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.087 -0.338 . . . . 0.35999999999999999 110.087 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.52 155.49 16.72 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.693 -0.484 . . . . 1.26 109.693 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.76 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 33.6 p90 -59.11 -33.69 71.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.808 0.337 . . . . 1.3200000000000001 110.727 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.65 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.1 tp60 -65.33 -35.54 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.278 -0.638 . . . . 1.0900000000000001 109.278 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -63.24 -42.8 99.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.48999999999999999 109.812 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 24' ' ' VAL . 83.6 t -60.5 -46.35 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.358 -0.837 . . . . 0.25 110.041 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -59.2 -31.78 69.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.743 -0.662 . . . . 0.87 111.023 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 37.7 mmt180 -63.01 -29.18 70.62 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.241 -0.436 . . . . 2.0299999999999998 110.599 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG22 HG11 ' A' ' 30' ' ' VAL . 13.3 t -92.62 -48.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.44 111.376 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.4 t -52.07 -48.34 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.711 -0.677 . . . . 0.40999999999999998 112.664 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -109.99 5.99 22.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.736 -0.386 . . . . 1.72 111.42 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 47.0 mt-30 54.02 57.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.768 . . . . 4.8799999999999999 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.89 30.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.424 -0.807 . . . . 2.27 111.384 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 7.5 t 60.59 -172.82 0.13 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.37 -0.832 . . . . 1.52 111.219 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.723 ' CG ' ' H72' ' C' ' 4' ' ' ' DT' . 0.8 OUTLIER 58.25 34.88 24.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.155 -0.475 . . . . 0.76000000000000001 111.805 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -127.83 131.1 70.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.014 0.435 . . . . 1.1599999999999999 110.948 178.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -101.01 169.44 8.95 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.359 -0.837 . . . . 1.3 109.962 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.75 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.641 0.258 . . . . 1.0600000000000001 110.808 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 24.6 mtmt -52.99 -46.37 68.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.836 -0.62 . . . . 3.3900000000000001 111.324 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.661 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -83.16 -41.12 18.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.65000000000000002 111.861 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG3' HG13 ' A' ' 23' ' ' VAL . 28.8 ttt180 -60.33 -38.7 84.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.86 0.318 . . . . 3.3100000000000001 111.86 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.01 -9.51 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.39 0.515 . . . . 1.45 112.39 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -103.14 -29.87 11.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.97999999999999998 110.351 179.056 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 42' ' ' MET . 92.5 t -76.72 -45.82 31.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.35999999999999999 110.706 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.512 ' HG3' HG11 ' A' ' 23' ' ' VAL . 40.6 mt-10 -68.02 -20.37 64.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.222 0.534 . . . . 1.5900000000000001 110.113 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -84.8 -43.53 14.11 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.507 -0.77 . . . . 0.52000000000000002 109.834 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.59 86.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.087 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.788 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.2 ptp -71.9 -11.37 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.09 -0.505 . . . . 0.39000000000000001 111.064 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.32 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.53000000000000003 109.72 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -72.37 -57.67 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.319 -0.855 . . . . 1.3600000000000001 111.103 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -81.28 -9.88 59.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.831 -1.077 . . . . 1.8799999999999999 111.918 -178.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.1 m120 67.75 63.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.618 0.723 . . . . 2.0099999999999998 109.667 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.931 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.1 t80 -65.62 136.35 56.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.649 -1.16 . . . . 1.1599999999999999 111.862 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 mm -109.06 107.29 59.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.412 -0.813 . . . . 1.1599999999999999 111.007 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.69 111.58 2.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.684 2.256 . . . . 0.55000000000000004 110.512 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' ND2' " H4'" ' D' ' 13' ' ' ' DG' . 48.3 m-80 -79.87 112.83 17.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.54000000000000004 111.802 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -76.97 -22.02 53.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.563 -0.744 . . . . 5.04 110.558 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -48.85 21.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.912 -0.586 . . . . 0.82999999999999996 109.847 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -61.29 -31.78 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.336 -0.847 . . . . 0.45000000000000001 110.281 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.24 -38.68 91.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.739 -0.664 . . . . 1.21 109.909 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 36.4 mt-30 -71.99 -42.13 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 2.0099999999999998 110.331 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.1 tp -65.9 -46.74 77.21 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 111.173 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.497 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -68.66 -23.08 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.48999999999999999 111.133 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 9.66 65.87 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.95 -0.568 . . . . 1.1399999999999999 112.411 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 63.7 mttm -99.8 176.01 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.509 0.195 . . . . 6.3499999999999996 110.475 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.543 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 23.2 tt0 -168.19 129.99 1.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.443 . . . . 6.5 110.214 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.74 117.74 35.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.408 -0.36 . . . . 7.21 110.745 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.489 -0.767 . . . . 9.6300000000000008 109.835 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.136 -0.32 . . . . 7.5 110.136 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.496 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 1.0 OUTLIER -58.34 -51.8 79.18 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.197 0.443 . . . . 4.8700000000000001 112.197 179.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 50.8 Cg_exo -55.49 146.95 60.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.261 1.974 . . . . 1.49 112.761 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.1 t -70.71 131.1 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.78000000000000003 110.233 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 29.4 p -89.37 175.26 7.39 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.932 -0.577 . . . . 0.5 110.746 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -81.13 -8.89 59.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.379 -1.341 . . . . 0.65000000000000002 107.379 178.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.75 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.4 m-85 -79.53 -44.46 21.13 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.496 -1.684 . . . . 1.27 109.576 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.47 -38.8 85.38 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.318 -0.855 . . . . 1.3100000000000001 110.338 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' B' ' 45' ' ' LEU . 68.0 t -60.4 -43.38 93.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.746 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.96 -48.51 65.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.37 111.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.89 -40.43 73.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.606 -0.725 . . . . 2.3399999999999999 111.818 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.572 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.6 t80 -73.53 -36.95 65.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.625 . . . . 1.5800000000000001 111.601 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.684 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -73.65 -22.87 59.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.64000000000000001 111.457 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.31 8.9 63.92 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.58999999999999997 112.265 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.25 169.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.131 -0.322 . . . . 0.5 110.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 148.22 44.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.809 -0.812 . . . . 0.64000000000000001 108.809 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -62.14 -21.55 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.882 0.373 . . . . 1.49 111.284 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 31.7 mt-30 -72.7 -24.0 60.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.06 0.457 . . . . 0.96999999999999997 109.874 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 51.8 m -68.08 -29.58 68.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.33 -0.989 . . . . 0.54000000000000004 108.33 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.407 HG13 HG11 ' B' ' 38' ' ' VAL . 15.0 t -69.8 -51.7 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.399 -0.963 . . . . 0.44 108.399 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.504 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 45.7 t -50.43 -36.2 32.08 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 120.906 0.384 . . . . 1.29 110.245 175.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 22.9 mtm180 -68.12 -51.54 45.06 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.055 -0.521 . . . . 2.6600000000000001 110.603 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.772 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.8 t -57.66 -33.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.386 0.612 . . . . 0.73999999999999999 110.669 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 71.2 t -81.82 -31.35 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.89000000000000001 112.177 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -128.45 -72.18 0.62 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.765 0.654 . . . . 1.6799999999999999 112.765 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.472 ' HB2' ' HG2' ' B' ' 22' ' ' ARG . 15.5 mm-40 -77.58 77.62 4.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.852 -0.613 . . . . 4.0300000000000002 111.323 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.68 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.461 -0.791 . . . . 2.1499999999999999 112.484 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.482 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.5 p -71.04 153.99 42.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.634 -0.506 . . . . 1.98 109.634 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.621 ' HB3' ' C6 ' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 59.22 29.38 18.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.833 0.453 . . . . 1.3100000000000001 110.821 -178.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 28' ' ' SER . 44.7 t -129.31 98.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.462 . . . . 1.22 110.881 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 159.05 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.654 -0.703 . . . . 1.4199999999999999 110.957 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.36 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 1.0700000000000001 110.86 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.69 -52.92 63.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.983 -0.553 . . . . 3.2999999999999998 111.561 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -68.62 -39.78 80.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.605 -0.271 . . . . 0.79000000000000004 111.468 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.772 ' HG3' HG13 ' B' ' 23' ' ' VAL . 45.1 ttt180 -60.98 -49.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 3.21 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.51 -33.99 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 2.0899999999999999 111.274 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.684 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.5 ttpt -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.877 0.37 . . . . 1.6599999999999999 110.25 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 34' ' ' THR . 84.4 t -70.54 -45.82 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.42999999999999999 110.282 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.27 -41.41 84.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 1.79 111.134 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.86 80.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.312 -0.404 . . . . 0.69999999999999996 110.554 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.46999999999999997 110.808 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 41.6 mtt -60.5 -23.82 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.54 . . . . 0.52000000000000002 110.24 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.71 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 0.62 110.367 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.77 -52.25 64.97 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 115.917 -0.583 . . . . 1.55 110.868 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.8 OUTLIER -81.53 -18.94 43.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 0.98999999999999999 111.299 -179.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.3 t30 69.85 59.78 0.28 Allowed 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 107.304 -1.369 . . . . 1.77 107.304 -176.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.5 t80 -49.08 118.88 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.129 -1.396 . . . . 1.3300000000000001 112.787 -178.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 46' ' ' ASN . 40.4 mt -116.87 94.51 44.44 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 107.304 -1.369 . . . . 1.28 107.304 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -28.21 122.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 125.014 3.809 . . . . 0.82999999999999996 114.902 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.6 HD22 " H4'" ' C' ' 13' ' ' ' DG' . 1.1 m-20 -73.4 57.66 0.53 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.988 -1.006 . . . . 1.6399999999999999 110.349 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -48.1 -25.33 1.4 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.538 0.94 . . . . 4.7599999999999998 113.538 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 -69.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.69999999999999996 109.806 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.5 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.938 -0.574 . . . . 0.54000000000000004 111.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.76 -45.26 65.1 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 1.49 110.635 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -68.44 -35.34 77.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.807 -0.442 . . . . 2.52 109.807 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.904 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 16.7 tp -63.02 -57.82 9.38 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.355 -0.839 . . . . 0.57999999999999996 108.833 176.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.872 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -73.61 44.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 124.113 0.883 . . . . 1.02 112.782 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.92 61.6 2.65 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.603 -0.599 . . . . 2.1299999999999999 111.603 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.475 ' HA ' H5'' ' D' ' 12' ' ' ' DC' . 0.9 OUTLIER -66.96 -30.86 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.623 0.249 . . . . 5.0700000000000003 111.062 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -126.34 127.51 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 7.3399999999999999 109.954 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 11.9 m -88.73 41.04 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.939 0.4 . . . . 6.96 111.011 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.156 -0.926 . . . . 7.96 110.431 179.667 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.421 " H1'" " H5'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.51 0 O4'-C1'-C2' 107.128 0.935 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.421 " H5'" " H1'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.18 -1.02 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.452 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C1'-C2' 107.319 1.108 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.723 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.806 1.004 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.491 H2'' ' OP2' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 N19-C1'-C2' 116.617 1.511 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.491 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 O4'-C1'-N19 108.625 1.032 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.451 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.45 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.073 0.884 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.457 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.501 0.876 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.457 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.226 1.024 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.543 " H4'" ' HA ' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.568 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.004 0 C2'-C3'-O3' 115.27 1.73 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.872 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.638 2.297 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.749 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.543 1.57 0 C5'-C4'-C3' 118.495 2.53 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.504 ' H73' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.45 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.007 0.825 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 107.025 0.841 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.057 0.87 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.555 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C4'-C3'-C2' 102.313 -0.887 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.555 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.302 -0.898 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.5 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.25 -0.95 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.5 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 N19-C1'-C2' 115.67 0.919 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.52 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 O4'-C1'-C2' 107.116 0.924 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C4'-C3'-C2' 102.176 -1.024 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.761 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.094 0.904 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.761 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 N19-C1'-C2' 115.957 1.098 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.523 ' C7 ' ' HB2' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 115.995 1.122 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.647 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.147 0.952 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.647 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C5'-C4'-C3' 115.968 0.846 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.417 ' OP2' H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C1'-C2' 107.119 0.927 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C2'-C3'-O3' 113.163 0.949 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.485 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.522 0.902 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-N19 108.525 0.906 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.751 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.508 -0.992 0 C4'-C3'-O3' 113.386 1.403 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.904 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 N19-C1'-C2' 117.225 1.891 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.555 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C1'-N19 110.07 2.838 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.497 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.135 0 C4'-C3'-C2' 102.391 -0.809 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.477 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 102.19 -1.01 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.537 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.148 0.953 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.537 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.487 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C2'-C3'-O3' 112.955 0.872 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 106.982 0.802 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.47 0.176 . . . . 6.4100000000000001 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -70.65 130.61 88.63 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 4.7300000000000004 110.644 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.23 147.76 38.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.322 2.015 . . . . 1.3 110.917 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.759 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 76.7 t -66.62 129.68 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.118 -0.697 . . . . 0.54000000000000004 109.118 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 1.3 p -100.56 171.24 7.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.761 -0.654 . . . . 0.40999999999999998 110.106 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.727 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.44 -15.47 63.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.28999999999999998 110.545 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.96 -34.66 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.211 0.529 . . . . 0.48999999999999999 110.021 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.604 ' HB2' HG13 ' A' ' 4' ' ' VAL . 17.9 m-20 -72.95 -36.85 67.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.576 -0.738 . . . . 1.75 109.622 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.48 -44.69 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.425 -0.807 . . . . 0.22 109.91 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.41 98.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.025 -0.989 . . . . 0.29999999999999999 110.788 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -66.07 -41.91 90.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.848 -0.614 . . . . 2.21 111.458 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -70.93 -35.07 72.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 1.49 111.819 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.42 -20.36 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.93 0.395 . . . . 0.46000000000000002 111.373 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.63 37.35 12.05 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.983 -0.847 . . . . 0.52000000000000002 110.983 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.1 m -130.01 -165.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.712 -0.477 . . . . 0.35999999999999999 109.712 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 19.1 p -107.82 152.91 23.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.727 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.9 p90 -55.63 -33.78 64.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 1.3200000000000001 110.526 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 22' ' ' ARG . 63.3 tp60 -65.58 -36.0 82.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0900000000000001 109.823 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 23' ' ' VAL . 91.2 m -66.92 -41.71 86.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.756 -0.831 . . . . 0.48999999999999999 108.756 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.561 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.03 -45.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 0.25 109.877 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.685 -0.689 . . . . 0.87 110.75 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.65 ' HB3' HG22 ' A' ' 30' ' ' VAL . 58.2 mtt180 -66.37 -30.97 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.0299999999999998 110.305 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 35' ' ' ARG . 46.4 t -81.05 -47.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.816 -0.629 . . . . 0.44 110.366 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.4 t -59.75 -46.65 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.177 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.81 -15.57 57.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 1.72 111.094 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 59.83 55.57 3.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.45 0.643 . . . . 4.8799999999999999 110.121 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.02 -148.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.229 -0.896 . . . . 2.27 111.377 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -100.57 -176.58 3.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 1.52 110.787 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.717 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.6 m170 62.0 27.42 16.61 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.037 0.535 . . . . 0.76000000000000001 111.777 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -120.12 105.7 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 120.63 -0.428 . . . . 1.1599999999999999 111.667 -179.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -73.45 153.74 40.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.13 -0.693 . . . . 1.3 109.13 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.3 -43.01 78.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.171 0.434 . . . . 1.0600000000000001 112.171 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -56.38 -47.01 79.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.339 -0.391 . . . . 3.3900000000000001 111.998 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.632 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -73.8 -37.35 64.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.047 -0.261 . . . . 0.65000000000000002 111.582 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HG3' HG13 ' A' ' 23' ' ' VAL . 31.4 ttt180 -60.06 -43.07 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.736 0.303 . . . . 3.3100000000000001 111.376 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 20.0 mt-10 -75.73 -21.65 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.263 0.468 . . . . 1.45 112.263 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.632 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -89.03 -28.56 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.225 -0.59 . . . . 0.97999999999999998 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 20' ' ' VAL . 72.4 t -73.7 -43.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.823 -0.436 . . . . 0.35999999999999999 109.823 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.6 mt-10 -64.69 -29.31 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 1.5900000000000001 109.898 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.45 60.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.781 . . . . 0.52000000000000002 110.692 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.84 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.37 111.752 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.738 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.6 ptp -70.45 -11.26 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.277 -0.42 . . . . 0.39000000000000001 110.81 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.86 15.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.084 0.469 . . . . 0.53000000000000003 110.368 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.45 -51.58 34.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.839 0.828 . . . . 1.3600000000000001 110.52 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.6 mt -82.41 -13.35 56.95 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.649 -1.159 . . . . 1.8799999999999999 111.78 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.51 67.18 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.815 0.817 . . . . 2.0099999999999998 109.532 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.3 t80 -69.38 138.91 54.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.293 -1.321 . . . . 1.1599999999999999 111.992 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -109.11 107.06 59.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.671 -0.695 . . . . 1.1599999999999999 110.902 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.33 103.75 1.14 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.643 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 60.7 m-80 -74.56 111.96 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.393 0.516 . . . . 0.54000000000000004 112.393 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -84.11 -21.94 31.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.73 -37.51 70.58 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.429 -0.952 . . . . 0.82999999999999996 108.429 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.614 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -70.95 -30.97 67.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.997 -1.001 . . . . 0.45000000000000001 109.185 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.48 -36.13 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.508 -0.769 . . . . 1.21 109.743 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.67 -30.65 71.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.393 0.616 . . . . 2.0099999999999998 109.486 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.699 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 9.0 tp -80.81 -55.4 4.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.209 -0.905 . . . . 0.51000000000000001 110.673 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.91 -26.3 68.25 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.015 -0.539 . . . . 0.48999999999999999 112.408 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.01 12.43 64.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.02 -0.609 . . . . 1.1399999999999999 112.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -121.79 39.91 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.935 0.398 . . . . 6.3499999999999996 110.611 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.887 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 77.1 mt-30 -66.6 90.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.135 0.493 . . . . 6.5 111.722 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -168.19 158.67 10.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 7.21 109.908 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.559 -0.734 . . . . 9.6300000000000008 110.795 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 110.135 -0.32 . . . . 7.5 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -112.09 121.27 39.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.621 -0.263 . . . . 4.8700000000000001 110.849 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.664 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 32.6 Cg_endo -64.62 157.97 52.64 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.734 2.29 . . . . 1.49 111.494 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.945 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 57.5 t -132.9 144.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.959 0.409 . . . . 0.78000000000000003 110.475 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.429 HG22 HD21 ' B' ' 50' ' ' ASN . 6.0 p -91.26 167.46 12.3 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.148 -0.478 . . . . 0.5 110.063 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.698 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -81.04 -8.1 59.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.128 -1.064 . . . . 0.65000000000000002 108.128 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.718 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.2 m-85 -79.81 -41.37 26.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.692 -1.595 . . . . 1.27 109.38 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.42 -37.33 87.15 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.474 -0.785 . . . . 1.3100000000000001 110.166 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' B' ' 45' ' ' LEU . 83.2 t -58.73 -39.55 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.39 -0.823 . . . . 0.28000000000000003 110.357 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.53 -47.78 62.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.37 111.532 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 46.5 mt-10 -57.45 -40.67 78.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 2.3399999999999999 111.767 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.4 ' CB ' HD21 ' B' ' 45' ' ' LEU . 30.7 t80 -75.36 -35.55 61.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.518 -0.31 . . . . 1.5800000000000001 111.835 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.99 -27.38 60.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.828 0.347 . . . . 0.64000000000000001 111.454 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.28 35.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.58999999999999997 112.013 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.444 HG11 HG22 ' B' ' 34' ' ' THR . 30.7 m -121.33 175.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.797 -0.446 . . . . 0.5 109.797 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 90.6 p -77.37 155.49 31.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.103 -0.703 . . . . 0.64000000000000001 109.103 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.57 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -61.16 -26.68 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.38 0.61 . . . . 1.49 110.081 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.37 -30.78 68.85 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.96999999999999997 110.515 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -61.57 -37.13 82.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.093 -0.706 . . . . 0.54000000000000004 109.093 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' CG1' ' B' ' 38' ' ' VAL . 37.0 t -72.77 -42.63 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.158 -0.928 . . . . 0.44 108.812 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.462 ' OG ' ' H73' ' C' ' 15' ' ' ' DT' . 2.0 t -54.78 -38.49 67.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.471 -0.786 . . . . 1.29 110.29 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 38.5 mmt180 -62.1 -54.04 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.624 -0.716 . . . . 2.6600000000000001 110.938 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.522 HG22 HG11 ' B' ' 30' ' ' VAL . 13.7 t -61.3 -36.16 71.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.171 0.51 . . . . 0.73999999999999999 110.411 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.41 HG21 HD12 ' B' ' 6' ' ' LEU . 3.5 t -67.8 -36.65 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.89000000000000001 111.054 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -72.55 -73.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 1.6799999999999999 110.868 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.23 41.06 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.874 -0.603 . . . . 4.0300000000000002 110.506 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.61 -117.15 0.41 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.815 -0.63 . . . . 2.1499999999999999 109.977 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 77.2 p 58.94 120.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.164 0.986 . . . . 1.98 111.921 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.805 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.4 OUTLIER 64.3 29.48 13.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.969 -0.56 . . . . 1.3100000000000001 110.844 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.522 HG11 HG22 ' B' ' 23' ' ' VAL . 13.1 t -131.95 104.96 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 1.22 110.115 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 154.38 35.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 1.4199999999999999 110.393 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.29 -41.39 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.234 0.334 . . . . 1.0700000000000001 111.719 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 45.3 mtmt -58.14 -52.62 64.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.15 -0.477 . . . . 3.2999999999999998 110.58 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.444 HG22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.79000000000000004 111.088 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 3.21 110.476 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.34 -38.86 91.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.5 -0.773 . . . . 2.0899999999999999 111.252 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 98.6 mttt -60.86 -46.25 91.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.6599999999999999 110.38 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.437 ' CG1' HG13 ' B' ' 20' ' ' VAL . 95.2 t -64.52 -51.22 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.653 -0.703 . . . . 0.42999999999999999 110.717 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.2 -43.38 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 1.79 111.125 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.15 89.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.69999999999999996 110.983 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.4 -33.19 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.46999999999999997 110.627 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 62.2 mtt -63.91 -24.02 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 109.757 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.0 -37.13 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.62 110.26 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.39 -47.91 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.982 -0.553 . . . . 1.55 110.643 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.1 OUTLIER -78.6 -22.2 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.532 -0.758 . . . . 0.98999999999999999 111.796 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 68.97 54.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.72 -1.585 . . . . 1.77 106.72 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.945 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -52.66 108.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.65 -1.613 . . . . 1.3300000000000001 113.211 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.664 ' HB ' ' HA ' ' B' ' 3' ' ' PRO . 51.5 mm -110.53 96.19 26.41 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.255 -1.387 . . . . 1.28 107.255 176.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -30.86 130.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.042 3.828 . . . . 0.82999999999999996 115.255 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.628 HD22 H5'' ' C' ' 13' ' ' ' DG' . 5.6 m-20 -72.43 66.45 0.68 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 114.856 -1.066 . . . . 1.6399999999999999 109.833 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -42.76 -43.46 3.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.646 0.98 . . . . 4.7599999999999998 113.646 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 63.2 m -58.77 -54.78 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 0.69999999999999996 112.063 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -79.4 -27.64 41.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.54000000000000004 111.954 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.461 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 51.2 mt-30 -72.63 -46.26 54.93 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.89 0.33 . . . . 1.49 111.89 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.05 -28.43 66.54 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.589 -0.523 . . . . 2.52 109.589 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.981 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -70.63 -70.6 0.29 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.033 -0.985 . . . . 0.57999999999999996 109.788 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.908 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -54.19 -34.71 61.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.97 -1.014 . . . . 1.02 112.763 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.72 61.37 0.91 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.875 -0.679 . . . . 2.1299999999999999 112.144 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -51.27 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.353 0.597 . . . . 5.0700000000000003 110.227 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -90.09 84.59 6.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.718 -0.673 . . . . 7.3399999999999999 110.518 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -103.15 -28.06 12.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.179 -0.464 . . . . 6.96 110.688 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.317 -0.849 . . . . 7.96 110.684 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.424 ' C8 ' " O5'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.189 0.99 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.111 0.919 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.803 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.897 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.803 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.696 1.12 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.717 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 N19-C1'-C2' 116.22 1.263 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.526 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.475 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.455 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.176 0.978 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.455 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 102.231 -0.969 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.449 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.667 1.084 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.887 " H4'" ' HA ' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 106.944 0.767 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.699 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.196 0 C2'-C3'-O3' 115.916 1.969 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.908 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 117.752 2.034 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.698 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.162 0 C5'-C4'-C3' 118.14 2.293 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.462 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.07 0.882 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.203 -0.997 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.47 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.162 0.965 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.292 -0.908 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.52 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.086 0.897 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.52 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.719 0 O4'-C1'-C2' 107.078 0.889 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 N19-C1'-C2' 115.531 0.832 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.402 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 107.077 0.889 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.572 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.524 -0.391 0 O4'-C1'-C2' 107.153 0.958 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.461 ' C4 ' ' N7 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.266 -0.934 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.515 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.184 0.985 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.805 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 N19-C1'-C2' 116.102 1.189 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.496 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 N19-C1'-C2' 116.653 1.533 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.77 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-N19 108.715 1.143 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.77 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C5'-C4'-C3' 116.106 0.937 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 102.355 -0.845 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 C2'-C3'-O3' 113.681 1.141 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 O4'-C1'-N19 108.514 0.893 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.813 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-O3' 113.173 1.306 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.981 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 116.676 1.548 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.614 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 109.489 2.112 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.528 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 N19-C1'-C2' 115.669 0.918 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.407 " H1'" " H5'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.407 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 106.928 0.752 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 102.305 -0.895 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.496 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.503 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.03 0.845 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.503 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C2'-C3'-O3' 113.022 0.897 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . 0.462 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.154 0.958 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.798 0.332 . . . . 6.4100000000000001 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -159.93 81.71 2.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 4.7300000000000004 110.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.17 147.03 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.286 1.991 . . . . 1.3 112.225 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.719 HG11 ' HG ' ' A' ' 45' ' ' LEU . 87.2 t -90.88 134.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.944 -0.762 . . . . 0.54000000000000004 108.944 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.02 171.75 7.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.743 0.306 . . . . 0.40999999999999998 110.957 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.0 pt? -65.63 -17.11 64.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.28999999999999998 110.524 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.24 -33.9 61.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.48999999999999999 109.309 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.35 -40.32 81.58 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.489 -0.778 . . . . 1.75 109.65 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.81 -44.15 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.22 110.165 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.87 79.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.939 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.62 -27.23 51.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.363 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.7 t80 -77.41 -36.93 52.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 1.49 110.435 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -89.52 -17.13 29.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.46000000000000002 111.729 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.65 39.88 16.61 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 110.991 -0.843 . . . . 0.52000000000000002 110.991 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG21 HG22 ' A' ' 38' ' ' VAL . 22.8 m -131.21 -172.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.153 -0.524 . . . . 0.35999999999999999 109.625 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.9 p -96.68 158.07 15.6 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.238 -0.653 . . . . 1.26 109.238 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.681 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 51.5 p90 -62.7 -25.58 68.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.279 -0.638 . . . . 1.3200000000000001 109.279 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.665 ' HB2' ' H71' ' C' ' 7' ' ' ' DT' . 20.1 tp60 -67.2 -35.22 79.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.175 -0.921 . . . . 1.0900000000000001 109.328 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -67.79 -41.26 83.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.738 -0.665 . . . . 0.48999999999999999 109.558 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.594 ' HA ' HG11 ' A' ' 38' ' ' VAL . 92.4 t -60.0 -53.62 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.467 -0.788 . . . . 0.25 110.062 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 t -62.09 -29.89 70.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.388 -0.369 . . . . 0.87 110.344 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -59.42 -27.09 65.73 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.581 -0.736 . . . . 2.0299999999999998 111.277 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG22 HG11 ' A' ' 30' ' ' VAL . 21.6 t -102.61 -48.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.393 -0.367 . . . . 0.44 111.347 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 20' ' ' VAL . 42.9 t -55.6 -51.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.771 1.026 . . . . 0.40999999999999998 113.771 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -130.76 22.37 5.02 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.625 0.972 . . . . 1.72 113.625 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' OE1' ' HD2' ' A' ' 22' ' ' ARG . 66.0 mt-30 -129.1 -53.38 1.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.712 -0.795 . . . . 4.8799999999999999 112.074 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.4 38.93 12.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.546 0.689 . . . . 2.27 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.4 t -155.17 158.01 38.29 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.971 -1.013 . . . . 1.52 108.297 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.717 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.8 m170 64.5 28.63 13.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.813 0.279 . . . . 0.76000000000000001 110.959 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -125.43 126.82 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.71 -0.478 . . . . 1.1599999999999999 109.71 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.008 -0.542 . . . . 1.3 111.573 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.24 -62.02 0.06 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.723 0.268 . . . . 1.0600000000000001 111.723 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -54.97 -42.66 72.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.92 0.391 . . . . 3.3900000000000001 110.796 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.6 -42.25 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.65000000000000002 111.229 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -64.75 -41.2 96.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.427 . . . . 3.3100000000000001 110.487 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.33 -21.51 62.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 1.45 112.375 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 16.8 ptpt -93.18 -27.57 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.795 -0.362 . . . . 0.97999999999999998 110.63 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.4 t -75.34 -45.87 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.35999999999999999 110.782 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.67 -20.35 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 1.5900000000000001 110.42 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -85.04 -42.32 14.96 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.772 -0.649 . . . . 0.52000000000000002 110.07 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.43 -43.3 90.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.851 -0.613 . . . . 0.37 111.654 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.711 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -66.37 -10.01 39.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.39000000000000001 111.604 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.62 -11.73 21.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.211 0.529 . . . . 0.53000000000000003 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 8.1 mm-40 -84.8 -59.54 2.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.672 -0.695 . . . . 1.3600000000000001 110.771 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.62 1.35 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.295 -0.866 . . . . 1.8799999999999999 112.03 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.48 70.6 0.52 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.443 0.64 . . . . 2.0099999999999998 111.147 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.711 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 8.6 t80 -76.82 131.15 38.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.703 -0.68 . . . . 1.1599999999999999 110.656 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.41 106.37 57.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.683 -0.689 . . . . 1.1599999999999999 110.992 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.68 116.94 3.96 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.374 2.049 . . . . 0.55000000000000004 110.285 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -83.64 113.3 20.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.114 0.483 . . . . 0.54000000000000004 111.988 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 38.1 mtm180 -73.65 -30.23 62.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 5.04 110.821 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.673 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -69.87 -41.06 75.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.82999999999999996 110.263 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.95 -32.76 74.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.914 -0.585 . . . . 0.45000000000000001 109.536 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -64.9 -40.27 94.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 1.21 110.292 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 92.6 mt-30 -66.47 -45.37 79.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 2.0099999999999998 110.366 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.3 tp -64.43 -50.57 67.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.484 -0.78 . . . . 0.51000000000000001 111.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -66.81 -26.65 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.717 -0.674 . . . . 0.48999999999999999 112.117 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -12.3 69.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.048 -0.596 . . . . 1.1399999999999999 112.515 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -93.65 160.76 14.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.057 -0.349 . . . . 6.3499999999999996 110.057 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 0.0 OUTLIER -150.62 167.17 28.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.509 -0.314 . . . . 6.5 110.229 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m 66.5 -168.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.522 0.514 . . . . 7.21 110.826 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.775 -0.631 . . . . 9.6300000000000008 110.433 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.1 ptp . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.912 0.387 . . . . 7.5 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.612 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 60.0 mttm -99.55 -56.0 0.16 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 112.141 0.423 . . . . 4.8700000000000001 112.141 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 17.3 Cg_exo -67.37 139.05 48.38 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.788 1.659 . . . . 1.49 112.125 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 61.7 t -76.43 130.18 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.813 -0.44 . . . . 0.78000000000000003 109.813 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.455 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 24.0 p -93.03 176.68 6.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.27 -0.423 . . . . 0.5 109.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.769 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -79.9 -10.25 59.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.714 -1.217 . . . . 0.65000000000000002 107.714 179.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.774 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 18.6 m-85 -78.59 -40.11 35.55 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.696 -1.593 . . . . 1.27 109.75 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.16 -37.27 85.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.764 -0.653 . . . . 1.3100000000000001 110.015 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.37 -36.78 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.91 . . . . 0.28000000000000003 110.567 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.43 -55.02 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.37 111.726 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.611 . . . . 2.3399999999999999 111.622 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.497 ' CD1' HD21 ' B' ' 45' ' ' LEU . 68.3 t80 -67.58 -44.88 77.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 1.5800000000000001 111.025 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.54 -18.21 59.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.129 0.49 . . . . 0.64000000000000001 111.707 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.97 14.45 67.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.95 -0.643 . . . . 0.58999999999999997 112.333 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.08 176.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.671 -0.492 . . . . 0.5 109.671 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 83.4 p -78.29 157.05 29.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.502 -0.925 . . . . 0.64000000000000001 108.502 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.725 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -68.37 -15.86 63.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.505 0.669 . . . . 1.49 109.852 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -78.39 -27.54 46.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.246 -0.888 . . . . 0.96999999999999997 109.469 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -62.85 -30.67 71.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.691 -0.855 . . . . 0.54000000000000004 108.691 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' B' ' 38' ' ' VAL . 3.4 t -70.24 -50.68 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.029 -0.987 . . . . 0.44 109.109 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -48.08 -36.42 13.08 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.004 0.521 . . . . 1.29 111.768 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 40.8 mmt180 -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.183 -0.462 . . . . 2.6600000000000001 111.398 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.69 -36.35 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.73999999999999999 111.328 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.62 -38.65 82.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.825 -0.625 . . . . 0.89000000000000001 111.821 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -79.08 -85.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.639 0.733 . . . . 1.6799999999999999 111.236 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -143.69 95.97 2.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.72 -1.127 . . . . 4.0300000000000002 108.286 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -28.82 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.965 1.416 . . . . 2.1499999999999999 113.835 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -154.87 149.72 26.68 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.382 -0.969 . . . . 1.98 108.382 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.726 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 1.7 m170 61.14 30.73 19.53 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.977 0.417 . . . . 1.3100000000000001 110.28 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.26 123.51 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.937 -0.574 . . . . 1.22 110.367 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -73.34 153.59 40.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.851 -0.613 . . . . 1.4199999999999999 109.657 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.495 ' HA ' ' HD2' ' B' ' 35' ' ' ARG . . . -50.82 -44.75 59.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.786 0.291 . . . . 1.0700000000000001 111.786 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.9 -45.59 91.81 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.057 0.456 . . . . 3.2999999999999998 111.247 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -40.14 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.043 -0.526 . . . . 0.79000000000000004 111.738 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.495 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 50.5 mtt180 -54.08 -54.44 39.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.181 0.515 . . . . 3.21 110.691 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.82 -41.17 95.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.325 -0.852 . . . . 2.0899999999999999 111.332 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.618 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 23.8 ttmm -58.2 -46.67 85.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.646 . . . . 1.6599999999999999 111.615 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' B' ' 20' ' ' VAL . 53.4 t -70.55 -46.94 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.42 -0.355 . . . . 0.42999999999999999 111.248 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.75 -42.26 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 1.79 110.906 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.14 -34.06 75.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.518 -0.31 . . . . 0.69999999999999996 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.13 73.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.46999999999999997 110.448 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 54.1 mtt -67.26 -19.49 65.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.564 . . . . 0.52000000000000002 110.44 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.58 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.62 110.787 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 76.8 mm-40 -64.1 -55.61 20.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.335 0.588 . . . . 1.55 110.722 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.3 OUTLIER -84.51 -10.25 57.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.474 -0.785 . . . . 0.98999999999999999 111.208 -179.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 t30 61.65 63.32 1.17 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.446 -0.946 . . . . 1.77 108.446 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.598 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -59.09 117.63 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.535 -1.212 . . . . 1.3300000000000001 112.188 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.5 mt -118.15 101.14 51.71 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 107.471 -1.307 . . . . 1.28 107.471 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.464 ' HB2' ' OE1' ' B' ' 60' ' ' GLN . 81.7 Cg_exo -44.29 134.54 8.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.801 3.001 . . . . 0.82999999999999996 114.018 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.575 HD22 " H4'" ' C' ' 13' ' ' ' DG' . 88.3 m-20 -60.14 99.71 0.08 Allowed 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.777 -0.647 . . . . 1.6399999999999999 109.773 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.605 ' HD3' ' H ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -51.59 -38.05 52.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.974 0.361 . . . . 4.7599999999999998 111.974 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.673 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 57.9 m -75.3 -54.18 7.51 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.727 0.64 . . . . 0.69999999999999996 112.727 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.548 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -74.44 -38.28 63.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.526 0.936 . . . . 0.54000000000000004 113.526 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 5.4 mm-40 -67.13 -52.73 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.816 0.302 . . . . 1.49 111.816 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.726 ' HA ' ' HA ' ' B' ' 59' ' ' LYS . 29.6 tt0 -59.3 -35.98 74.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.32 0.581 . . . . 2.52 110.256 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.974 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 11.7 tp -64.88 -67.35 0.44 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.155 -0.93 . . . . 0.57999999999999996 110.702 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.795 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -51.16 -48.38 61.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 1.02 113.808 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.66 37.29 0.27 Allowed Glycine 0 C--N 1.329 0.178 0 C-N-CA 119.576 -1.297 . . . . 2.1299999999999999 113.173 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 32.1 mtmm 67.53 162.34 0.18 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.225 0.61 . . . . 5.0700000000000003 111.446 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.464 ' OE1' ' HB2' ' B' ' 49' ' ' PRO . 10.0 tt0 -104.69 98.47 8.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.08 -0.509 . . . . 7.3399999999999999 109.836 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m 63.16 33.34 14.48 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.012 -0.54 . . . . 6.96 111.079 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.354 -0.831 . . . . 7.96 111.517 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.416 ' C6 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.54 0 O4'-C1'-C2' 106.999 0.817 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.484 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C4'-C3'-C2' 102.18 -1.02 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.722 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.77 0 O4'-C1'-C2' 107.299 1.09 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.722 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 N19-C1'-C2' 115.702 0.939 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.717 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.441 0.76 0 N19-C1'-C2' 116.515 1.447 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.491 H2'' ' OP2' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C2'-C3'-O3' 113.42 1.045 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.665 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.126 0.932 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.492 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.05 0.863 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.492 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.662 1.078 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.451 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.509 0 O4'-C1'-N19 108.483 0.854 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.441 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.951 0.774 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.586 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.112 0 C2'-C3'-O3' 115.77 1.915 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.795 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.378 1.972 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.769 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.44 0 O4'-C1'-N19 105.531 -2.836 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.493 ' C2 ' ' N7 ' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 P-O3'-C3' 120.915 1.012 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.493 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.056 0.869 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.419 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 C4'-C3'-C2' 102.364 -0.836 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.419 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 106.901 0.728 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C4'-C3'-C2' 102.257 -0.943 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.45 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 C4'-C3'-C2' 102.42 -0.78 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.458 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.371 -0.829 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.458 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 N19-C1'-C2' 115.633 0.895 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.438 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 N19-C1'-C2' 115.596 0.873 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.432 " O5'" ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 O4'-C1'-C2' 107.029 0.845 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 102.177 -1.023 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.549 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.148 0.952 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.726 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 N19-C1'-C2' 115.999 1.124 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.657 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 N19-C1'-C2' 116.189 1.243 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.633 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.633 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.719 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.428 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C5'-C4'-C3' 115.887 0.792 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.432 " H1'" " H5'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 O4'-C1'-C2' 106.969 0.79 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.059 0.872 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.773 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.509 -0.868 0 C4'-C3'-O3' 113.029 1.241 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.974 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 N19-C1'-C2' 116.77 1.606 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.592 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O4'-C1'-N19 109.689 2.362 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.494 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C4'-C3'-C2' 102.344 -0.856 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 102.302 -0.898 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.123 -1.077 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 106.989 0.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.515 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C4'-C3'-C2' 102.29 -0.91 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.515 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.442 ' OP2' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C1'-C2' 106.92 0.746 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 106.932 0.756 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 mmm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.874 0.369 . . . . 6.4100000000000001 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -55.52 2.34 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.943 -0.572 . . . . 4.7300000000000004 111.62 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.64 123.05 8.74 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.557 1.505 . . . . 1.3 111.925 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.104 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.1 t -70.55 144.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.726 -0.67 . . . . 0.54000000000000004 110.115 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.3 OUTLIER -106.62 165.15 11.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.165 -0.471 . . . . 0.40999999999999998 110.229 -179.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.912 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -64.26 -16.78 62.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.28999999999999998 111.238 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -77.58 -36.4 52.05 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.48999999999999999 109.956 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -34.89 67.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.75 110.34 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.17 -41.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.478 0.656 . . . . 0.22 109.432 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.47 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.937 -1.028 . . . . 0.29999999999999999 111.308 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -35.58 80.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.795 -0.639 . . . . 2.21 111.616 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.6 t80 -79.49 -34.42 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.53 -0.304 . . . . 1.49 111.479 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.24 -16.89 44.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.621 0.248 . . . . 0.46000000000000002 111.172 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.94 30.11 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.977 -0.849 . . . . 0.52000000000000002 110.977 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -129.29 -165.54 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.062 -0.569 . . . . 0.35999999999999999 109.813 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -110.35 152.45 26.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.878 -0.601 . . . . 1.26 109.394 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.912 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 43.9 p90 -55.13 -25.54 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.961 0.41 . . . . 1.3200000000000001 110.939 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.822 HE22 ' N4 ' ' D' ' 16' ' ' ' DC' . 7.7 tp-100 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 1.0900000000000001 109.626 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.6 m -65.82 -47.06 76.3 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.48999999999999999 109.594 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.655 ' HA ' HG11 ' A' ' 38' ' ' VAL . 98.7 t -54.91 -50.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.145 -0.934 . . . . 0.25 111.134 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.7 t -60.54 -36.44 78.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.439 -0.346 . . . . 0.87 111.516 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 88.1 mtt-85 -68.85 -27.37 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.727 0.299 . . . . 2.0299999999999998 110.586 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 19' ' ' THR . 65.2 t -83.26 -50.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.44 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' VAL . 68.9 t -58.81 -45.63 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.416 -0.811 . . . . 0.40999999999999998 112.102 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -88.6 -3.64 58.75 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.898 0.333 . . . . 1.72 111.898 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 55.92 65.54 1.42 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.3 0.572 . . . . 4.8799999999999999 109.983 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.82 -153.07 0.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.721 -0.672 . . . . 2.27 111.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 1.9 p -99.48 175.82 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 1.52 110.324 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.68 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 2.0 m170 62.23 39.71 12.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.825 0.45 . . . . 0.76000000000000001 111.538 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -130.14 124.97 59.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 120.805 0.336 . . . . 1.1599999999999999 111.239 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -99.52 148.65 24.04 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.487 -0.561 . . . . 1.3 109.487 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.19 -26.34 66.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 1.0600000000000001 111.972 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -61.13 -43.84 98.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.929 0.395 . . . . 3.3900000000000001 111.067 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -91.84 -28.83 17.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.65000000000000002 111.293 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -56.1 -42.99 77.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 3.3100000000000001 110.974 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 37.5 mt-10 -69.06 -41.08 78.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.419 0.526 . . . . 1.45 112.419 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 19.2 ptpt -68.61 -31.96 71.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.97999999999999998 110.809 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HA ' ' A' ' 20' ' ' VAL . 92.0 t -74.13 -42.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.25 -0.432 . . . . 0.35999999999999999 109.998 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 35.8 mt-10 -65.23 -27.83 68.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.184 0.516 . . . . 1.5900000000000001 109.898 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -81.92 -39.65 23.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.649 -0.705 . . . . 0.52000000000000002 110.441 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.75 91.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.037 0.446 . . . . 0.37 110.997 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.793 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -72.89 -6.23 43.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.39000000000000001 110.738 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.212 0.529 . . . . 0.53000000000000003 109.909 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.6 mm-40 -72.21 -61.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 1.3600000000000001 110.109 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -13.95 60.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.411 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.5 62.27 0.28 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.573 0.701 . . . . 2.0099999999999998 109.438 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.104 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.1 t80 -64.39 138.06 58.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.573 -1.194 . . . . 1.1599999999999999 111.599 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.33 104.44 53.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.1599999999999999 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.53 115.77 2.89 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.805 2.337 . . . . 0.55000000000000004 111.221 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 63.7 m-80 -83.17 98.77 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.54000000000000004 111.563 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -73.85 -15.58 61.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 5.04 110.654 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -77.91 -41.21 37.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.037 -0.727 . . . . 0.82999999999999996 109.037 179.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.07 -28.15 66.27 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.361 -0.836 . . . . 0.45000000000000001 109.282 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -37.01 80.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.222 -0.899 . . . . 1.21 110.006 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -71.06 -24.87 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 2.0099999999999998 110.149 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.6 tp -82.28 -54.95 4.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.87 -0.605 . . . . 0.51000000000000001 110.307 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.74 -37.42 87.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.729 -0.669 . . . . 0.48999999999999999 110.599 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.97 87.67 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.791 -0.64 . . . . 1.1399999999999999 111.708 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD3' " H4'" ' C' ' 11' ' ' ' DC' . 6.4 pttm 32.95 -106.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.396 1.078 . . . . 6.3499999999999996 112.989 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -81.41 126.61 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 6.5 110.576 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -139.13 25.37 2.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.556 . . . . 7.21 110.339 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.402 -0.809 . . . . 9.6300000000000008 110.461 -179.787 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.633 0.254 . . . . 7.5 110.587 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -118.59 88.25 33.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.099 0.476 . . . . 4.8700000000000001 110.59 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.71 101.18 1.01 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.418 2.078 . . . . 1.49 111.958 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.643 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 84.6 t -77.48 127.88 38.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.811 -0.631 . . . . 0.78000000000000003 109.524 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 19.0 p -91.13 173.67 7.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.947 -0.57 . . . . 0.5 110.2 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.781 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -76.2 -11.39 59.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.822 -1.177 . . . . 0.65000000000000002 107.822 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.773 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 31.8 m-85 -75.71 -43.86 45.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.081 -1.418 . . . . 1.27 109.414 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.91 -40.35 95.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.875 -0.602 . . . . 1.3100000000000001 110.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' B' ' 45' ' ' LEU . 55.7 t -58.65 -43.31 87.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.23 -0.896 . . . . 0.28000000000000003 110.577 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.45 -46.44 76.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.37 112.226 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 5.2 mm-40 -57.86 -40.74 80.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 2.3399999999999999 111.7 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.548 ' CB ' HD21 ' B' ' 45' ' ' LEU . 57.2 t80 -71.33 -41.38 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.5800000000000001 111.06 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -70.37 -21.37 62.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.606 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.22 62.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.633 . . . . 0.58999999999999997 112.295 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.427 HG11 HG22 ' B' ' 34' ' ' THR . 27.0 m -115.43 174.22 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.5 110.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 154.27 40.47 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.775 -0.824 . . . . 0.64000000000000001 108.775 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.63 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -62.73 -25.96 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 1.49 110.337 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.82 -20.58 56.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.873 -0.603 . . . . 0.96999999999999997 110.508 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -64.53 -29.56 70.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.921 -0.77 . . . . 0.54000000000000004 108.921 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.402 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.8 t -69.65 -46.38 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.323 -0.992 . . . . 0.44 108.323 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.438 ' HB2' ' H73' ' C' ' 15' ' ' ' DT' . 32.1 t -52.89 -34.55 55.38 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.076 0.465 . . . . 1.29 110.31 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 22' ' ' ARG . 6.1 mtp85 -64.59 -56.09 16.15 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.679 -0.692 . . . . 2.6600000000000001 110.619 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.541 HG22 HG11 ' B' ' 30' ' ' VAL . 97.4 t -58.73 -32.07 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.73999999999999999 110.816 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.83 -38.22 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.593 -0.73 . . . . 0.89000000000000001 112.034 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.476 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 10.6 m-80 -123.17 -70.55 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.879 0.696 . . . . 1.6799999999999999 112.879 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -79.96 75.59 6.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 4.0300000000000002 111.345 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.06 -24.56 58.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.72 -1.127 . . . . 2.1499999999999999 112.364 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m -69.03 156.78 38.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.882 -0.414 . . . . 1.98 109.882 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.752 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.2 OUTLIER 64.12 21.67 12.64 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.196 0.598 . . . . 1.3100000000000001 110.336 -177.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.541 HG11 HG22 ' B' ' 23' ' ' VAL . 41.9 t -122.21 113.67 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.672 -0.492 . . . . 1.22 109.672 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 161.56 21.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.4199999999999999 110.562 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -43.68 75.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 1.0700000000000001 110.568 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 20.4 ttpt -49.56 -55.83 12.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.606 -0.725 . . . . 3.2999999999999998 111.709 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.427 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -73.2 -37.27 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.18 0.437 . . . . 0.79000000000000004 112.18 -178.522 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -59.92 -45.56 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.567 -0.288 . . . . 3.21 111.033 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.31 -33.29 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.0899999999999999 110.801 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 65.7 mttm -62.41 -48.67 78.68 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.324 -0.398 . . . . 1.6599999999999999 110.561 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' B' ' 42' ' ' MET . 59.0 t -66.3 -48.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.656 -0.702 . . . . 0.42999999999999999 110.901 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.83 -45.21 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.895 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.634 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.63 -43.62 88.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.69999999999999996 110.878 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.75 -33.11 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.46999999999999997 111.676 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 61.4 mtt -62.57 -19.98 64.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.404 -0.362 . . . . 0.52000000000000002 111.078 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.95 -29.04 11.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.62 110.911 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 6.2 mm-40 -70.32 -43.42 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.822 0.344 . . . . 1.55 110.289 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.559 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -88.37 -18.35 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.98999999999999999 110.369 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 68.21 58.66 0.44 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 107.039 -1.467 . . . . 1.77 107.039 -176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.643 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -55.13 117.34 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 113.969 -1.469 . . . . 1.3300000000000001 113.091 -177.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -124.16 92.59 48.05 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 107.6 -1.259 . . . . 1.28 107.6 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.35 129.66 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.785 2.99 . . . . 0.82999999999999996 113.545 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -54.74 99.73 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.784 -0.644 . . . . 1.6399999999999999 109.979 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -54.02 -36.24 62.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.938 0.399 . . . . 4.7599999999999998 111.153 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.7 m -76.92 -54.53 6.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.759 0.651 . . . . 0.69999999999999996 112.759 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.54 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -73.37 -33.86 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.318 0.858 . . . . 0.54000000000000004 113.318 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 8.6 mm-40 -72.41 -47.99 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.635 0.606 . . . . 1.49 112.635 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.24 -33.36 75.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.291 0.567 . . . . 2.52 109.685 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.985 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.9 tp -66.65 -61.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.136 -0.938 . . . . 0.57999999999999996 110.234 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.758 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -60.36 -25.41 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.143 -0.935 . . . . 1.02 112.868 -178.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -177.71 -87.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 119.862 -1.161 . . . . 2.1299999999999999 112.889 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.78 158.2 17.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.662 0.267 . . . . 5.0700000000000003 111.113 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.24 72.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.825 -0.435 . . . . 7.3399999999999999 109.825 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -78.27 95.53 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.995 -0.548 . . . . 6.96 111.344 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.51 -0.757 . . . . 7.96 109.562 178.693 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.648 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.532 0 O4'-C1'-C2' 107.116 0.924 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.403 ' C6 ' ' C6 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.794 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C4'-C3' 104.659 -0.941 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.794 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.021 0.838 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.68 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.608 1.505 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.633 H2'' ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.701 1.126 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.633 ' H71' H2'' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 107.125 0.932 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.423 " H5'" " H1'" ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C4'-C3'-C2' 102.349 -0.851 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C4'-C3'-C2' 102.267 -0.933 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.443 H2'' ' OP2' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-N19 108.562 0.952 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.468 " H4'" ' HD3' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C5'-C4'-C3' 116.197 0.998 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.628 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.446 1.19 0 C2'-C3'-O3' 115.696 1.887 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.773 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 O4'-C1'-N19 109.88 2.6 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.781 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.415 -1.59 0 C5'-C4'-C3' 118.444 2.496 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.476 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.073 0.885 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.425 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.061 0.873 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C5'-C4'-C3' 116.128 0.952 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.06 0.873 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.449 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 102.327 -0.873 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.449 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.275 -0.925 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.438 ' H72' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.34 -0.86 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.402 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 N19-C1'-C2' 115.722 0.951 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.109 0.917 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.335 -0.865 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.536 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.049 0.862 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.752 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 N19-C1'-C2' 115.841 1.026 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.639 0 N19-C1'-C2' 115.965 1.103 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.763 H2'' ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-N19 108.506 0.882 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.763 ' H71' H2'' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C5'-C4'-C3' 116.185 0.99 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.41 ' C4 ' ' N6 ' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-C3' 116.069 0.913 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.436 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.296 -0.904 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.436 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-N19 108.592 0.99 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 O4'-C1'-C2' 107.034 0.849 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.817 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.769 0 C4'-C3'-O3' 113.062 1.255 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.985 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 N19-C1'-C2' 116.672 1.545 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.667 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 109.354 1.943 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.527 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 102.334 -0.866 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.822 ' N4 ' HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 102.311 -0.889 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.447 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.075 0.886 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.447 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.093 -1.107 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.588 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.588 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.055 0.868 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.45 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 107.021 0.838 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C5'-C4'-C3' 115.901 0.801 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptt? . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 110.145 -0.317 . . . . 6.4100000000000001 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? 70.68 119.19 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 124.066 0.854 . . . . 4.7300000000000004 110.415 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.44 122.18 11.24 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.536 2.158 . . . . 1.3 112.008 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.687 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.5 t -75.33 131.49 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.596 -0.52 . . . . 0.54000000000000004 109.596 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.539 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -105.82 170.55 7.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.033 -0.53 . . . . 0.40999999999999998 110.11 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.68 -15.55 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.28999999999999998 110.141 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -76.86 -35.16 57.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.48999999999999999 109.52 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.95 -38.11 85.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.951 -0.568 . . . . 1.75 110.217 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 t -69.5 -42.81 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.605 -0.725 . . . . 0.22 109.587 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.96 79.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.034 -0.985 . . . . 0.29999999999999999 111.092 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.1 -39.76 75.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.131 -0.486 . . . . 2.21 111.707 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -74.33 -34.98 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 1.49 111.473 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.9 -16.14 39.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.46000000000000002 111.676 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.18 38.05 30.68 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.885 -0.886 . . . . 0.52000000000000002 110.885 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.7 m -130.79 -165.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.305 -0.448 . . . . 0.35999999999999999 110.031 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.466 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 60.3 p -106.43 157.03 17.93 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.266 -0.642 . . . . 1.26 109.266 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.862 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.8 p90 -59.75 -31.11 69.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.089 0.471 . . . . 1.3200000000000001 110.024 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HB2' ' H71' ' C' ' 7' ' ' ' DT' . 57.5 tp60 -66.74 -35.45 80.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.536 -0.756 . . . . 1.0900000000000001 109.6 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.9 m -65.76 -48.64 71.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.759 -0.83 . . . . 0.48999999999999999 108.759 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.9 t -58.62 -48.99 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.23 -0.895 . . . . 0.25 110.696 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 6' ' ' LEU . 22.9 t -58.59 -39.1 79.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.87 111.368 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' NH1' ' H72' ' C' ' 5' ' ' ' DT' . 59.5 mtt180 -68.34 -24.84 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 2.0299999999999998 110.561 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.647 HG13 ' HG3' ' A' ' 35' ' ' ARG . 83.9 t -81.4 -44.75 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.213 0.53 . . . . 0.44 109.864 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.9 t -62.78 -44.48 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.269 -0.878 . . . . 0.40999999999999998 110.6 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.91 -11.16 59.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.323 -0.399 . . . . 1.72 111.293 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.17 63.4 1.08 Allowed 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.71 0.631 . . . . 4.8799999999999999 110.953 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 -166.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.73 -0.668 . . . . 2.27 110.834 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -92.24 -161.87 0.87 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.962 -0.563 . . . . 1.52 110.652 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.739 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 5.1 m170 67.99 -60.52 0.4 Allowed 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.456 0.702 . . . . 0.76000000000000001 112.608 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 22' ' ' ARG . 97.2 t -64.58 117.36 5.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.355 0.597 . . . . 1.1599999999999999 111.239 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.86 168.86 19.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.144 -0.935 . . . . 1.3 110.964 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.87 -39.28 88.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.587 0.217 . . . . 1.0600000000000001 111.587 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -52.91 -48.21 67.39 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.987 0.422 . . . . 3.3900000000000001 111.345 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -82.86 -28.07 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.65000000000000002 111.548 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.647 ' HG3' HG13 ' A' ' 23' ' ' VAL . 13.1 ttm180 -66.31 -46.3 77.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.957 0.408 . . . . 3.3100000000000001 111.307 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 59.2 mt-10 -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.78 -0.646 . . . . 1.45 112.352 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.7 ptpt -81.79 -28.53 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.158 -0.617 . . . . 0.97999999999999998 109.93 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' THR . 76.5 t -73.01 -44.55 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.35999999999999999 109.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.94 -32.52 73.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.574 -0.739 . . . . 1.5900000000000001 110.114 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.2 -35.08 42.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 0.52000000000000002 111.049 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.15 74.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.842 0.353 . . . . 0.37 110.994 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.815 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.7 ptp -71.66 -10.72 60.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.39000000000000001 110.687 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.77 -22.68 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.53000000000000003 109.666 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 80.0 mm-40 -80.79 -51.12 8.99 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.034 -0.985 . . . . 1.3600000000000001 110.606 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.54 6.95 31.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 1.8799999999999999 111.185 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 p30 47.27 46.73 16.8 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.779 0.8 . . . . 2.0099999999999998 111.136 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.815 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 7.7 t80 -52.15 126.8 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.642 -1.163 . . . . 1.1599999999999999 112.123 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -103.52 109.65 62.33 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 110.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.07 106.45 1.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.57 2.18 . . . . 0.55000000000000004 110.982 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -68.74 105.79 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.54000000000000004 111.502 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 39.0 ptt180 -73.15 -22.84 60.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.521 -0.763 . . . . 5.04 110.618 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -72.09 -40.65 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.298 0.57 . . . . 0.82999999999999996 110.114 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.651 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.76 -31.06 69.83 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.457 -0.792 . . . . 0.45000000000000001 109.289 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' N ' " H4'" ' D' ' 14' ' ' ' DC' . 28.1 tt0 -67.45 -40.53 85.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.023 -0.989 . . . . 1.21 110.018 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' HB3' ' HA ' ' A' ' 61' ' ' SER . 89.4 mt-30 -62.74 -41.91 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 2.0099999999999998 109.862 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 12.8 tp -67.91 -52.3 37.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.491 -0.777 . . . . 0.51000000000000001 110.866 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.34 -26.31 68.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.684 . . . . 0.48999999999999999 110.784 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.26 19.38 18.43 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.921 -0.581 . . . . 1.1399999999999999 111.953 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HD3' " H4'" ' C' ' 11' ' ' ' DC' . 3.5 tppp? 72.28 106.42 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.63 0.772 . . . . 6.3499999999999996 111.713 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' HA ' H5'' ' C' ' 12' ' ' ' DG' . 6.1 tp-100 69.29 109.47 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.215 -0.902 . . . . 6.5 112.048 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 9.7 p -78.16 -18.25 55.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.666 -0.697 . . . . 7.21 111.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.424 -0.798 . . . . 9.6300000000000008 110.718 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 121.117 0.484 . . . . 7.5 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' B' ' 2' ' ' LYS . 0.1 OUTLIER -101.72 -54.21 0.14 Allowed Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 4.8700000000000001 110.726 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 24.5 Cg_exo -64.7 115.57 3.3 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.987 1.791 . . . . 1.49 111.629 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 46.3 t -92.78 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.78000000000000003 110.458 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.567 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 17.9 p -95.46 170.95 9.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.254 -0.43 . . . . 0.5 110.183 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.75 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.5 OUTLIER -79.61 -6.16 56.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.884 -1.154 . . . . 0.65000000000000002 107.884 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.78 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 20.8 m-85 -82.1 -40.01 22.53 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.937 -1.483 . . . . 1.27 109.956 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.55 -39.22 93.36 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.029 -0.532 . . . . 1.3100000000000001 110.335 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.452 ' HA ' HD23 ' B' ' 45' ' ' LEU . 40.0 t -59.21 -38.75 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 110.368 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -71.78 -53.52 13.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.283 -0.871 . . . . 0.37 112.531 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.09 -31.38 67.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.507 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.429 ' CB ' HD21 ' B' ' 45' ' ' LEU . 55.1 t80 -76.41 -48.73 18.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.396 -0.365 . . . . 1.5800000000000001 110.832 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -67.52 -25.11 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.64000000000000001 111.987 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.22 6.18 61.69 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.935 -0.65 . . . . 0.58999999999999997 112.374 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 36.0 m -103.05 170.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.126 -0.324 . . . . 0.5 110.126 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.86 148.32 44.55 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.14 -1.059 . . . . 0.64000000000000001 108.14 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.726 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -61.37 -23.29 65.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.205 0.526 . . . . 1.49 110.453 -178.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.484 HE21 ' HB2' ' B' ' 18' ' ' GLN . 1.6 tt0 -69.83 -28.09 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.96999999999999997 110.339 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.475 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 29.7 m -67.52 -31.51 71.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.65 -0.87 . . . . 0.54000000000000004 108.65 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.476 HG13 ' CG1' ' B' ' 38' ' ' VAL . 16.2 t -73.98 -46.02 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.44 109.407 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.737 ' HB2' ' OP2' ' C' ' 15' ' ' ' DT' . 7.8 p -58.68 -32.58 69.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.149 0.5 . . . . 1.29 110.037 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' B' ' 19' ' ' THR . 24.5 mtm180 -74.19 -47.74 33.67 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.489 -0.778 . . . . 2.6600000000000001 110.155 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.519 HG22 HG11 ' B' ' 30' ' ' VAL . 21.8 t -57.43 -35.84 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.556 0.693 . . . . 0.73999999999999999 109.828 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.45 -33.77 46.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 111.675 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.456 ' OD1' ' HE2' ' B' ' 59' ' ' LYS . 28.3 m-80 -126.4 -72.34 0.65 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.888 0.699 . . . . 1.6799999999999999 112.888 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -78.38 82.69 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 4.0300000000000002 111.455 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.25 -11.07 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.723 -0.671 . . . . 2.1499999999999999 111.949 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' B' ' 29' ' ' HIS . 0.4 OUTLIER -71.47 149.83 45.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.869 -0.419 . . . . 1.98 109.869 178.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.665 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 60.92 30.07 19.4 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.119 0.568 . . . . 1.3100000000000001 110.989 -179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.519 HG11 HG22 ' B' ' 23' ' ' VAL . 45.5 t -127.58 107.89 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.33 . . . . 1.22 110.268 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -70.76 163.53 27.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.241 -0.436 . . . . 1.4199999999999999 110.932 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 1.0700000000000001 111.535 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 39.1 mmtm -58.1 -54.07 51.16 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.403 -0.362 . . . . 3.2999999999999998 111.494 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -68.32 -35.21 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.79000000000000004 111.029 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.89 -51.47 69.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 3.21 110.173 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.866 -0.606 . . . . 2.0899999999999999 110.67 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.488 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.0 tppp? -60.34 -44.54 95.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.913 -0.585 . . . . 1.6599999999999999 110.051 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.9 t -73.22 -46.91 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.43 -0.804 . . . . 0.42999999999999999 111.06 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -36.05 78.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.327 -0.397 . . . . 1.79 111.438 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -65.45 -41.53 93.32 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.628 -0.508 . . . . 0.69999999999999996 109.628 178.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.46999999999999997 110.4 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.58 -23.78 64.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.034 -0.53 . . . . 0.52000000000000002 110.413 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.47 -29.27 13.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.052 -0.522 . . . . 0.62 110.763 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 14.8 mm-40 -70.77 -52.24 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.129 0.49 . . . . 1.55 110.392 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.572 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.8 OUTLIER -80.34 -19.79 45.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.866 -0.606 . . . . 0.98999999999999999 110.075 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.454 ' O ' HG12 ' B' ' 48' ' ' ILE . 14.3 t-20 69.12 57.94 0.37 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.263 -1.384 . . . . 1.77 107.263 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.761 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -52.51 121.37 6.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.794 -1.548 . . . . 1.3300000000000001 112.741 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.0 mm -122.33 96.23 46.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 114.892 -1.049 . . . . 1.28 108.622 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -35.2 123.05 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.178 3.252 . . . . 0.82999999999999996 113.929 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.567 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 1.6 m-20 -55.49 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.49 -0.777 . . . . 1.6399999999999999 111.191 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -58.47 -40.07 81.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.807 0.299 . . . . 4.7599999999999998 111.807 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.1 m -73.75 -58.38 3.35 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.752 0.649 . . . . 0.69999999999999996 112.752 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.596 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -67.47 -37.8 83.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.467 0.914 . . . . 0.54000000000000004 113.467 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 47.1 mt-30 -69.46 -51.21 38.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.611 -0.436 . . . . 1.49 111.432 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -55.91 -36.93 68.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.411 0.624 . . . . 2.52 109.856 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.952 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.8 tp -67.65 -58.03 5.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.81 -1.086 . . . . 0.57999999999999996 110.89 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.807 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -71.76 34.45 0.06 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.022 1.119 . . . . 1.02 114.022 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.05 31.54 61.77 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 114.392 0.517 . . . . 2.1299999999999999 114.392 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 23.5 tptp -118.25 86.41 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.707 0.765 . . . . 5.0700000000000003 110.403 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.474 ' HB2' HD23 ' B' ' 62' ' ' LEU . 1.6 pm0 -93.42 156.25 16.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.336 -0.847 . . . . 7.3399999999999999 110.386 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.5 m -94.23 57.28 2.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 6.96 110.19 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' B' ' 60' ' ' GLN . 4.0 mm? . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.316 -0.849 . . . . 7.96 110.673 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 O4'-C1'-C2' 107.033 0.848 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.034 0.849 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.784 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.902 0 O4'-C1'-C2' 107.272 1.066 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.784 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C4'-C3' 104.737 -0.863 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.739 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.05 1.156 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.471 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.52 0.9 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.405 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.248 1.044 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.442 H2'' ' OP2' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.219 -0.981 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.463 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-N19 108.618 1.023 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.463 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.22 1.018 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.566 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C4'-C3'-C2' 102.322 -0.878 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.853 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.081 0 C2'-C3'-O3' 115.138 1.681 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.807 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.109 0 O4'-C1'-N19 109.35 1.938 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.75 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.338 0 C5'-C4'-C3' 118.691 2.66 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.737 ' OP2' ' HB2' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 P-O3'-C3' 121.33 1.358 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.268 -0.932 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.449 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.111 0.919 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.32 -0.88 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.553 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.163 0.967 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.553 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C4'-C3'-C2' 102.357 -0.843 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.409 " H5'" " H1'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.05 0.864 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 N19-C1'-C2' 115.73 0.957 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.156 0.96 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.4 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C4'-C3'-C2' 102.183 -1.017 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.549 0 O4'-C1'-C2' 107.21 1.01 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.665 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 N19-C1'-C2' 116.4 1.375 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.528 ' C7 ' ' HB2' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 N19-C1'-C2' 116.289 1.306 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.693 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.242 -0.958 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.693 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 106.969 0.79 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-C3' 116.03 0.887 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.51 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C2'-C3'-O3' 113.677 1.14 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.51 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.053 0.866 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.152 0.956 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.844 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-O3' 113.34 1.382 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.952 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 N19-C1'-C2' 116.086 1.179 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.651 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C1'-N19 109.632 2.29 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.525 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.075 0 O4'-C1'-N19 108.607 1.008 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.418 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 102.239 -0.961 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.422 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.649 0 O4'-C1'-C2' 107.002 0.82 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.422 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.116 0.923 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.05 0.863 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.463 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.073 0.885 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.549 H2'' ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.056 0.869 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.549 ' H71' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.01 0.827 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 N19-C1'-C2' 115.459 0.787 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.886 -0.412 . . . . 6.4100000000000001 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 31.3 tttp -71.84 124.9 91.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 4.7300000000000004 110.917 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 23.0 Cg_exo -65.13 122.96 10.87 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.693 2.262 . . . . 1.3 111.091 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 92.6 t -80.14 134.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.995 -0.548 . . . . 0.54000000000000004 110.25 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.525 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.9 OUTLIER -108.43 176.58 5.07 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.731 -0.668 . . . . 0.40999999999999998 110.678 -178.048 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.971 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.2 pt? -68.16 -15.22 63.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.28999999999999998 110.391 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -76.41 -35.73 58.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.228 -0.656 . . . . 0.48999999999999999 109.228 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.0 m-20 -66.12 -43.68 86.44 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.738 -0.665 . . . . 1.75 110.017 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -67.24 -39.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.425 -0.807 . . . . 0.22 110.0 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.37 92.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.289 -0.869 . . . . 0.29999999999999999 110.406 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.87 -25.27 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 2.21 111.118 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.488 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 5.8 t80 -79.15 -38.68 35.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 1.49 110.749 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.91 -18.78 25.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.515 -0.311 . . . . 0.46000000000000002 111.659 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 35.26 12.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.52000000000000002 111.846 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.1 -166.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.486 -0.357 . . . . 0.35999999999999999 110.695 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -100.44 156.72 17.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.26 -0.644 . . . . 1.26 109.26 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.971 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 50.2 p90 -59.79 -31.92 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.284 0.564 . . . . 1.3200000000000001 110.421 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG3' ' O4 ' ' C' ' 7' ' ' ' DT' . 0.1 OUTLIER -66.34 -38.49 87.76 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.632 -0.713 . . . . 1.0900000000000001 110.311 179.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.684 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.9 m -65.68 -41.17 92.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.519 -0.549 . . . . 0.48999999999999999 109.519 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.9 t -58.93 -52.61 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.806 -0.634 . . . . 0.25 110.389 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.0 t -60.49 -35.42 75.87 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.87 110.529 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.803 ' HB3' HG22 ' A' ' 30' ' ' VAL . 22.5 mtm180 -64.75 -31.69 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 2.0299999999999998 110.596 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 19' ' ' THR . 85.0 t -81.04 -43.25 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.44 110.06 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG21 ' HE2' ' A' ' 47' ' ' TYR . 59.8 t -60.15 -42.51 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.40999999999999998 110.624 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -83.64 -19.0 36.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 1.72 111.294 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 57.97 50.3 10.47 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.25 0.548 . . . . 4.8799999999999999 110.28 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -159.06 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.257 -0.883 . . . . 2.27 111.188 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -83.42 170.46 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 1.52 110.28 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.569 ' HA ' ' OP2' ' C' ' 4' ' ' ' DT' . 0.1 OUTLIER 61.33 31.33 19.31 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.194 0.598 . . . . 0.76000000000000001 111.285 -178.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 22' ' ' ARG . 5.0 t -120.66 103.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 1.1599999999999999 111.4 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 89.9 p -74.99 155.82 36.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.847 -0.615 . . . . 1.3 110.261 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -68.86 -27.06 65.48 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.791 -0.448 . . . . 1.0600000000000001 109.791 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -55.41 -50.58 69.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.375 -0.829 . . . . 3.3900000000000001 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.62 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -81.61 -33.35 31.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 110.723 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -52.96 -47.3 68.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 3.3100000000000001 111.444 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 36.8 mt-10 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.126 0.787 . . . . 1.45 113.126 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.62 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.2 ptpt -85.84 -28.3 24.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.439 -0.505 . . . . 0.97999999999999998 110.999 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.5 t -77.58 -42.36 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.35999999999999999 110.101 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 40.2 mt-10 -64.48 -30.09 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.257 0.551 . . . . 1.5900000000000001 109.661 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.19 -41.23 35.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 0.52000000000000002 110.679 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.87 -44.39 81.07 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.37 111.364 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.0 ptp -66.49 -13.68 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.39000000000000001 111.779 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.66 -12.03 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.273 0.559 . . . . 0.53000000000000003 110.204 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 81.7 mm-40 -86.63 -61.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.485 -0.78 . . . . 1.3600000000000001 111.392 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.623 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -78.88 -1.84 37.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.765 -0.652 . . . . 1.8799999999999999 112.644 -179.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 67.42 65.63 0.4 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.319 0.58 . . . . 2.0099999999999998 110.747 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.6 t80 -70.35 134.39 47.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.681 -0.69 . . . . 1.1599999999999999 111.14 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -109.47 105.58 57.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.772 -0.649 . . . . 1.1599999999999999 110.445 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.13 104.24 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.434 2.089 . . . . 0.55000000000000004 110.322 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -72.36 101.86 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.101 -0.5 . . . . 0.54000000000000004 111.376 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.24 -18.07 60.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.815 -0.63 . . . . 5.04 110.401 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.3 OUTLIER -74.45 -40.93 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.254 -0.647 . . . . 0.82999999999999996 109.254 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.65 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.01 -30.2 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.45000000000000001 109.193 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -69.32 -31.82 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.189 -0.914 . . . . 1.21 109.495 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HA ' ' HB2' ' A' ' 59' ' ' LYS . 12.4 mt-30 -77.07 -8.26 57.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 2.0099999999999998 109.938 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.739 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.7 tp -102.85 -42.93 5.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.51000000000000001 110.813 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -84.86 -45.05 12.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.595 . . . . 0.48999999999999999 112.122 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.01 -8.51 59.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.819 -0.705 . . . . 1.1399999999999999 113.315 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 55' ' ' GLN . 32.7 mmtp -130.42 168.79 16.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.332 -0.247 . . . . 6.3499999999999996 110.332 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.471 HE22 ' HB3' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 72.69 127.55 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.99 0.806 . . . . 6.5 111.772 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.82 40.83 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.484 -0.78 . . . . 7.21 109.559 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HB3' HE22 ' A' ' 60' ' ' GLN . 50.1 tp . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.36 -0.828 . . . . 9.6300000000000008 110.753 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttt . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.91 0.386 . . . . 7.5 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -128.37 102.19 21.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 4.8700000000000001 110.778 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.36 92.45 1.01 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.898 2.399 . . . . 1.49 112.001 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.66 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.1 t -72.08 135.19 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.78000000000000003 110.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.501 HG22 HD21 ' B' ' 50' ' ' ASN . 18.7 p -96.65 172.67 7.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.697 -0.683 . . . . 0.5 110.646 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -79.87 -8.32 59.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.64 -1.244 . . . . 0.65000000000000002 107.64 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.786 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 24.4 m-85 -79.34 -39.04 33.7 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.612 -1.631 . . . . 1.27 109.735 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.25 -40.15 93.62 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.416 -0.811 . . . . 1.3100000000000001 110.354 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.41 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.4 t -60.7 -38.34 78.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.615 -0.721 . . . . 0.28000000000000003 110.504 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -67.31 -45.63 75.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.493 -0.776 . . . . 0.37 111.659 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.15 -43.91 95.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.744 -0.662 . . . . 2.3399999999999999 111.421 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.53 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.7 t80 -65.68 -41.89 91.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 1.5800000000000001 111.616 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.51 -19.21 59.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.64000000000000001 111.812 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.27 21.46 54.67 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.025 -0.607 . . . . 0.58999999999999997 112.896 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.48 179.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 110.261 -0.274 . . . . 0.5 110.261 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -78.97 158.21 28.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.444 -0.947 . . . . 0.64000000000000001 108.444 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.646 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -65.12 -20.04 66.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.088 0.47 . . . . 1.49 110.798 -179.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 10.6 mt-30 -81.81 -20.68 38.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.96999999999999997 110.514 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 23' ' ' VAL . 7.9 m -64.16 -33.9 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.788 -1.189 . . . . 0.54000000000000004 107.788 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.436 HG13 ' CG1' ' B' ' 38' ' ' VAL . 39.8 t -76.99 -39.97 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 114.181 -1.372 . . . . 0.44 108.65 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 6.7 t -55.89 -40.06 72.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.47 -0.786 . . . . 1.29 110.619 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 37.9 mmt180 -65.45 -41.72 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.574 . . . . 2.6600000000000001 110.665 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.699 HG22 HG11 ' B' ' 30' ' ' VAL . 46.1 t -70.55 -39.21 75.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.008 -0.542 . . . . 0.73999999999999999 110.407 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.416 HG21 HD12 ' B' ' 6' ' ' LEU . 9.8 t -65.66 -39.96 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.697 -0.683 . . . . 0.89000000000000001 110.807 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -67.62 -68.53 0.38 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.912 0.386 . . . . 1.6799999999999999 110.059 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -144.38 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 4.0300000000000002 110.182 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.01 22.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 2.1499999999999999 110.623 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.415 ' O ' HG23 ' B' ' 30' ' ' VAL . 2.5 p -84.37 138.62 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 1.98 110.757 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.592 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 59.97 32.72 21.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.917 0.487 . . . . 1.3100000000000001 110.558 -179.058 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.699 HG11 HG22 ' B' ' 23' ' ' VAL . 6.4 t -127.75 124.68 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.661 -0.496 . . . . 1.22 109.661 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.81 164.44 21.65 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.883 -0.414 . . . . 1.4199999999999999 109.883 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.65 92.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.399 . . . . 1.0700000000000001 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -60.78 -45.41 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.689 -0.687 . . . . 3.2999999999999998 111.672 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -43.41 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.086 0.402 . . . . 0.79000000000000004 112.086 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.68 -38.64 82.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.842 0.353 . . . . 3.21 110.703 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.16 -41.75 63.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 2.0899999999999999 110.602 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 25.4 ttpt -65.5 -44.48 86.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 1.6599999999999999 111.65 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.436 ' CG1' HG13 ' B' ' 20' ' ' VAL . 69.5 t -64.74 -51.61 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.376 . . . . 0.42999999999999999 111.774 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.37 -32.84 73.7 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.199 -0.2 . . . . 1.79 111.395 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.35 -36.17 66.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.69999999999999996 110.427 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.94 -29.07 69.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.46999999999999997 110.643 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.62 -21.75 63.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.718 -0.674 . . . . 0.52000000000000002 111.157 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.78 -25.43 18.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.62 110.961 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.82 -49.03 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 1.55 110.902 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 1.1 mm? -83.36 -14.55 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.98999999999999999 110.322 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.8 t-20 68.06 55.57 0.55 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.308 -1.367 . . . . 1.77 107.308 -176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.66 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -57.01 116.89 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.015 -1.448 . . . . 1.3300000000000001 112.655 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 46' ' ' ASN . 66.1 mt -126.27 94.08 41.86 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 114.402 -1.272 . . . . 1.28 107.84 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -32.03 127.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 124.697 3.598 . . . . 0.82999999999999996 114.973 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 5' ' ' THR . 1.3 m120 -52.56 99.55 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.086 0.866 . . . . 1.6399999999999999 110.095 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.88 -28.99 69.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.939 0.399 . . . . 4.7599999999999998 111.252 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 58.9 m -83.04 -58.42 2.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.086 0.402 . . . . 0.69999999999999996 112.086 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.524 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -69.98 -37.05 75.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 0.54000000000000004 113.645 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.636 ' HG2' H5'' ' C' ' 14' ' ' ' DA' . 69.4 mt-30 -74.51 -40.9 61.48 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.35 0.523 . . . . 1.49 112.275 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.02 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.166 -0.679 . . . . 2.52 109.166 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.921 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.1 tp -69.83 -68.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.893 -1.048 . . . . 0.57999999999999996 110.135 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.893 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -54.22 -37.14 64.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 1.02 113.741 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.38 82.54 1.14 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.706 -0.759 . . . . 2.1299999999999999 111.365 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -57.11 114.5 2.17 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.822 0.449 . . . . 5.0700000000000003 111.662 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.403 ' HA ' ' OP1' ' C' ' 15' ' ' ' DT' . 32.7 mt-30 54.83 -112.98 0.75 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.459 -0.791 . . . . 7.3399999999999999 110.864 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -126.71 34.38 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.498 -0.556 . . . . 6.96 109.498 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.972 -1.013 . . . . 7.96 110.863 -179.403 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O4'-C1'-C2' 107.173 0.975 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.515 ' C6 ' ' C6 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 107.101 0.91 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.73 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.126 0.933 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.73 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 O4'-C1'-N19 108.669 1.086 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.507 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C2'-C3'-O3' 113.557 1.095 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.612 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.612 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.046 0.86 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.70999999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.446 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.296 -0.904 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.477 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C4'-C3'-C2' 102.378 -0.822 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.739 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.061 0 C2'-C3'-O3' 115.361 1.763 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.893 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 109.709 2.386 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.73 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.418 -1.345 0 C5'-C4'-C3' 117.75 2.033 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.425 ' H72' " C2'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 106.996 0.815 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.474 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.406 -0.794 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.474 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.365 -0.835 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.444 -0.756 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.41 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.501 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C4'-C3'-C2' 102.289 -0.911 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.501 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C4'-C3'-C2' 102.378 -0.822 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H72' " H2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 102.381 -0.819 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.453 ' H71' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 N19-C1'-C2' 115.512 0.82 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 102.401 -0.799 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.609 0 C4'-C3'-C2' 102.293 -0.907 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.564 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C1'-C2' 107.078 0.889 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.592 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 N19-C1'-C2' 116.421 1.388 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.455 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 116.232 1.27 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.671 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.553 0.941 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.671 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C5'-C4'-C3' 116.332 1.088 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.064 0.876 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.472 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C4'-C3'-C2' 102.14 -1.06 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.472 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-N19 108.43 0.788 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.422 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.225 -0.975 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.806 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.656 0 C4'-C3'-O3' 113.019 1.236 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.921 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 N19-C1'-C2' 116.94 1.713 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.65 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.746 2.432 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.475 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C4'-C3'-C2' 102.35 -0.85 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.481 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.07 0.882 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.067 0.879 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.557 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C4'-C3'-C2' 102.197 -1.003 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.628 " C2'" ' H71' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.043 0.858 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.628 ' H71' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 N19-C1'-C2' 115.602 0.877 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 N19-C1'-C2' 115.445 0.778 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.837 0.351 . . . . 6.4100000000000001 110.157 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -139.99 77.63 25.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.421 . . . . 4.7300000000000004 111.057 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -85.33 88.79 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.912 2.408 . . . . 1.3 111.7 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.604 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.42 19.77 49.55 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 24.9 tptp -93.9 7.6 44.37 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.145 0.498 . . . . 6.3499999999999996 110.326 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 34.6 tt0 -50.27 124.36 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.565 -0.743 . . . . 6.5 110.752 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -79.04 65.06 4.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.293 0.568 . . . . 7.21 110.998 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.388 -0.824 . . . . 9.6300000000000008 109.889 179.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.41 0.148 . . . . 7.5 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 63.7 tttp -58.17 -54.43 55.78 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.761 0.282 . . . . 4.8700000000000001 111.761 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 60.6 Cg_endo -76.26 90.92 1.15 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.803 1.669 . . . . 1.49 112.117 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t -82.53 133.71 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.78000000000000003 109.781 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.473 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.744 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.483 ' CB ' ' H73' ' C' ' 15' ' ' ' DT' . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.993 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.532 ' HB3' ' NE2' ' B' ' 60' ' ' GLN . 11.3 p30 -146.95 -34.47 0.27 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.993 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 9.8 mm100 -82.57 73.95 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.046 -0.408 . . . . 4.0300000000000002 111.128 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 28' ' ' SER . . . -54.18 164.21 0.69 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.134 -0.939 . . . . 2.1499999999999999 111.686 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.694 ' O ' HG23 ' B' ' 30' ' ' VAL . 74.6 m 71.93 179.66 0.23 Allowed 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.826 -0.805 . . . . 1.98 108.826 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.691 ' HB3' ' C7 ' ' D' ' 4' ' ' ' DT' . 2.0 p-80 37.92 36.35 0.1 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.556 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.997 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -56.41 -14.52 3.05 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.57 -63.69 0.27 Allowed Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.848 -0.691 . . . . 2.1299999999999999 112.573 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 10.2 ttpp 64.3 92.66 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.183 0.516 . . . . 5.0700000000000003 110.092 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' B' ' 25' ' ' ASN . 4.4 pp0? -49.58 146.13 4.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.252 -0.886 . . . . 7.3399999999999999 111.913 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -128.23 31.98 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.851 -0.613 . . . . 6.96 110.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.307 -0.854 . . . . 7.96 110.65 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.437 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.247 -0.953 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.766 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.881 0 O4'-C1'-C2' 107.335 1.123 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.766 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.156 0.96 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.673 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.443 0.91 0 C2'-C3'-O3' 115.043 1.646 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.556 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O3'-C3' 120.832 0.943 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.556 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.457 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.457 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.052 -1.148 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.48 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.492 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C5'-C4'-O4' 108.044 -0.848 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.653 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.912 0 C2'-C3'-O3' 115.391 1.774 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.764 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.615 2.269 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.744 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.541 1.407 0 C5'-C4'-C3' 118.033 2.222 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.483 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 116.802 1.402 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.518 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C2'-C3'-O3' 113.908 1.225 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.518 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.062 0.874 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.991 0.81 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.564 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.564 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 102.385 -0.815 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.969 0.79 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C4'-C3'-C2' 102.27 -0.93 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.44 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C1'-C2' 107.217 1.015 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.691 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 116.704 1.565 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.486 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 N19-C1'-C2' 116.005 1.128 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.806 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.237 1.034 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.806 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C5'-C4'-C3' 116.343 1.095 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C5'-C4'-C3' 116.05 0.9 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.75 1.188 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.747 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-O3' 113.162 1.301 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.997 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 116.778 1.611 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-N19 109.777 2.472 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.506 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C4'-C3'-C2' 102.195 -1.005 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.438 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.245 -0.955 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.492 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.978 0.798 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.454 ' C4 ' ' N7 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.104 0.913 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.569 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.569 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.114 0.922 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.494 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.529 0.912 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . 0.434 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 106.965 0.787 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.745 0.307 . . . . 6.4100000000000001 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.66 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 18.7 tppt? -173.54 -56.53 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.0 -0.546 . . . . 4.7300000000000004 110.967 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 71.9 Cg_endo -83.19 125.6 4.07 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 121.724 1.616 . . . . 1.3 112.053 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 21.4 t -74.95 134.64 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.983 -0.747 . . . . 0.54000000000000004 108.983 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.69 170.37 7.92 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.389 -0.369 . . . . 0.40999999999999998 110.651 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.66 -15.98 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.28999999999999998 110.201 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 68.0 m-85 -75.6 -41.15 55.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.066 -0.716 . . . . 0.48999999999999999 109.066 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.13 -39.36 89.74 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.033 -0.53 . . . . 1.75 109.978 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.47 -43.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.362 -0.836 . . . . 0.22 110.054 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.7 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.235 -0.893 . . . . 0.29999999999999999 110.932 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 49.0 mt-10 -70.73 -35.39 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.138 -0.483 . . . . 2.21 111.268 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -78.99 -36.98 40.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 1.49 111.608 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.35 -12.17 52.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.46000000000000002 111.036 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.11 39.3 53.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.068 -0.813 . . . . 0.52000000000000002 111.068 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 13' ' ' ALA . 22.1 m -128.64 -173.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.687 0.279 . . . . 0.35999999999999999 110.273 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -94.08 151.21 19.67 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.254 -0.647 . . . . 1.26 109.254 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.827 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 52.2 p90 -57.61 -31.87 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 1.3200000000000001 110.664 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' CD ' ' H41' ' D' ' 16' ' ' ' DC' . 1.0 OUTLIER -66.5 -33.93 76.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 1.0900000000000001 110.593 178.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 23' ' ' VAL . 75.9 m -66.53 -41.39 88.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.152 -0.684 . . . . 0.48999999999999999 109.152 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 95.8 t -61.04 -49.39 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.525 -0.761 . . . . 0.25 110.331 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -59.26 -35.45 73.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.992 -0.549 . . . . 0.87 110.82 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.598 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 55.3 mtt180 -65.03 -28.11 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 2.0299999999999998 110.86 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' A' ' 30' ' ' VAL . 58.6 t -85.58 -47.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.107 0.479 . . . . 0.44 110.689 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.611 HG21 ' HE2' ' A' ' 47' ' ' TYR . 54.0 t -57.19 -49.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.264 -0.88 . . . . 0.40999999999999998 112.815 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -104.04 3.73 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.638 0.607 . . . . 1.72 112.638 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 57.96 57.72 3.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.406 0.622 . . . . 4.8799999999999999 110.429 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -89.14 20.14 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 2.27 111.562 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 m 64.66 -171.52 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.943 -0.571 . . . . 1.52 110.775 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.787 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 2.3 m170 61.21 30.98 19.55 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.106 0.41 . . . . 0.76000000000000001 112.106 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -131.04 122.38 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.228 0.537 . . . . 1.1599999999999999 111.056 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 p -84.27 166.45 17.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.426 -0.806 . . . . 1.3 110.118 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.79 -51.25 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.872 0.693 . . . . 1.0600000000000001 112.872 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -53.41 -49.54 67.08 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.063 0.394 . . . . 3.3900000000000001 112.063 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.98 -40.74 75.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.161 -0.472 . . . . 0.65000000000000002 111.931 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 35' ' ' ARG . 29.3 ttp-105 -59.97 -43.9 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 3.3100000000000001 110.994 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.0 -40.1 72.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 1.45 112.288 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.9 ptpt -69.43 -31.16 69.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.818 0.342 . . . . 0.97999999999999998 111.143 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 74.4 t -76.25 -40.5 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.334 -0.394 . . . . 0.35999999999999999 110.082 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.06 -29.2 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.809 -0.632 . . . . 1.5900000000000001 110.009 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.86 -40.61 47.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.52000000000000002 110.373 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.38 86.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.049 -0.523 . . . . 0.37 111.412 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.7 ptp -70.77 -10.59 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.443 -0.344 . . . . 0.39000000000000001 111.206 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.73 17.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.198 0.523 . . . . 0.53000000000000003 110.099 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 75.7 mm-40 -71.55 -50.21 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.778 0.799 . . . . 1.3600000000000001 110.612 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -7.15 58.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.418 -1.264 . . . . 1.8799999999999999 111.18 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 59.87 62.25 1.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.027 0.917 . . . . 2.0099999999999998 109.635 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.769 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -72.73 128.43 35.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.534 -1.212 . . . . 1.1599999999999999 111.267 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.68 112.44 53.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.451 -0.795 . . . . 1.1599999999999999 110.276 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.88 139.61 88.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.394 2.063 . . . . 0.55000000000000004 112.062 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.405 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 64.3 m-80 -99.67 110.11 22.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.196 0.522 . . . . 0.54000000000000004 110.765 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -77.71 -23.71 49.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 5.04 111.187 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -36.05 62.52 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.42 -0.585 . . . . 0.82999999999999996 109.42 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.612 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.37 -33.1 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.432 -0.804 . . . . 0.45000000000000001 109.048 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.83 -38.64 86.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.108 -0.951 . . . . 1.21 109.66 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.74 HE22 ' HA ' ' A' ' 61' ' ' SER . 15.1 mm100 -65.83 -32.23 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 2.0099999999999998 110.243 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.6 tp -78.21 -50.13 12.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.655 -0.702 . . . . 0.51000000000000001 110.616 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.486 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.6 -40.93 96.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.534 -0.757 . . . . 0.48999999999999999 111.818 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.31 -14.41 71.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.99 -0.624 . . . . 1.1399999999999999 112.073 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.552 ' HG3' ' OP1' ' C' ' 12' ' ' ' DG' . 42.8 tttm 69.7 -52.9 0.62 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.762 0.825 . . . . 6.3499999999999996 112.219 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -88.34 162.27 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.27 -0.423 . . . . 6.5 110.163 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.74 ' HA ' HE22 ' A' ' 55' ' ' GLN . 73.4 m -78.73 125.92 30.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.933 0.397 . . . . 7.21 111.207 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.767 -0.635 . . . . 9.6300000000000008 110.086 179.416 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttm . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.672 0.272 . . . . 7.5 110.43 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 25.1 mmtt -85.53 123.68 72.43 Favored Pre-proline 0 N--CA 1.451 -0.408 0 CA-C-O 120.74 0.305 . . . . 4.8700000000000001 110.236 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 6.0 Cg_exo -78.86 96.18 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.801 2.334 . . . . 1.49 111.436 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 29.8 t -70.03 124.34 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.201 -0.666 . . . . 0.78000000000000003 109.201 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 9' ' ' VAL . 26.8 p -90.61 173.27 8.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.855 -0.611 . . . . 0.5 110.515 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.756 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -12.47 59.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.496 -1.298 . . . . 0.65000000000000002 107.496 178.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.744 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 19.3 m-85 -77.13 -47.04 21.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.872 -1.513 . . . . 1.27 108.724 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -60.61 -35.78 76.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.61 -0.723 . . . . 1.3100000000000001 110.31 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 5' ' ' THR . 94.5 t -63.98 -40.9 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.346 0.593 . . . . 0.28000000000000003 110.091 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.569 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -68.36 -46.81 69.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.463 -0.79 . . . . 0.37 111.621 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.617 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 33.1 mt-10 -61.98 -35.87 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 2.3399999999999999 111.053 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.492 ' CD1' HD21 ' B' ' 45' ' ' LEU . 83.2 t80 -67.69 -40.14 84.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 1.5800000000000001 110.874 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.517 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -81.14 -10.52 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.64000000000000001 111.825 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.38 56.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.077 -0.582 . . . . 0.58999999999999997 112.463 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.99 168.04 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.062 -0.347 . . . . 0.5 110.062 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.3 p -68.3 147.74 51.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.423 -0.954 . . . . 0.64000000000000001 108.423 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -59.84 -25.97 65.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 1.49 110.581 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.534 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 26.7 mt-30 -73.29 -20.33 60.84 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.415 -0.357 . . . . 0.96999999999999997 110.704 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.525 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 50.6 m -65.65 -36.66 84.31 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.135 -1.061 . . . . 0.54000000000000004 108.135 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.17 -44.9 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.946 -1.025 . . . . 0.44 108.708 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -55.37 -35.68 65.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.013 -0.54 . . . . 1.29 110.889 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.764 ' HD2' ' HB2' ' B' ' 29' ' ' HIS . 47.3 mtm-85 -68.64 -41.11 79.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.983 -0.553 . . . . 2.6600000000000001 110.508 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.003 ' HA ' ' HA ' ' B' ' 27' ' ' ALA . 48.4 t -72.69 -39.89 60.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.271 0.558 . . . . 0.73999999999999999 110.181 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.02 -34.16 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 0.89000000000000001 111.059 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -75.47 -80.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 1.6799999999999999 111.049 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -128.22 10.9 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.04 0.385 . . . . 4.0300000000000002 112.04 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.003 ' HA ' ' HA ' ' B' ' 23' ' ' VAL . . . 54.91 43.08 30.51 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.148 0.796 . . . . 2.1499999999999999 113.148 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.5 t -112.75 169.82 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.929 -0.397 . . . . 1.98 109.929 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.778 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 1.0 OUTLIER 62.16 35.39 15.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.886 0.474 . . . . 1.3100000000000001 110.182 -178.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.456 HG12 ' HB ' ' B' ' 34' ' ' THR . 0.0 OUTLIER -136.66 130.79 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 1.22 109.833 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 37.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.679 0.992 . . . . 1.4199999999999999 113.679 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.11 -57.64 0.47 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.87 0.868 . . . . 1.0700000000000001 112.033 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -56.94 -38.55 73.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 3.2999999999999998 110.148 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.467 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -62.14 -44.76 95.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.79000000000000004 110.501 179.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -59.87 -50.7 72.76 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.192 0.52 . . . . 3.21 110.31 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.11 -41.07 87.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.124 -0.944 . . . . 2.0899999999999999 111.608 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.517 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 34.4 ttpt -70.24 -40.09 74.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.738 0.304 . . . . 1.6599999999999999 110.813 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 34' ' ' THR . 55.7 t -66.93 -47.93 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.42999999999999999 110.185 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.24 -32.42 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 1.79 110.347 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.38 -41.55 80.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.681 -0.489 . . . . 0.69999999999999996 109.681 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.61 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.46999999999999997 110.601 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.81 -22.76 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.539 -0.755 . . . . 0.52000000000000002 110.708 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.68 -28.14 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.358 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 78.5 mm-40 -68.41 -52.24 35.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.353 0.597 . . . . 1.55 110.708 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' B' ' 12' ' ' TYR . 0.2 OUTLIER -90.24 -6.02 55.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.98999999999999999 111.714 -178.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 61.37 67.16 0.8 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.407 -0.961 . . . . 1.77 108.407 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.9 t80 -58.16 110.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.516 -1.22 . . . . 1.3300000000000001 112.524 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -109.64 95.95 21.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.965 -1.124 . . . . 1.28 107.965 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -35.41 130.06 0.28 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.165 3.243 . . . . 0.82999999999999996 114.116 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.684 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 7.1 m120 -44.98 108.83 0.13 Allowed 'General case' 0 C--O 1.222 -0.351 0 O-C-N 124.21 0.943 . . . . 1.6399999999999999 110.443 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -72.0 -38.93 69.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.689 0.28 . . . . 4.7599999999999998 111.225 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 20.7 m -83.45 -53.66 5.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.69999999999999996 112.046 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.562 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -67.65 -41.27 84.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.707 1.003 . . . . 0.54000000000000004 113.707 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.684 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 68.8 mt-30 -73.44 -31.9 64.08 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.373 -0.531 . . . . 1.49 111.43 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.44 -28.83 64.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.714 0.769 . . . . 2.52 109.176 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 1.011 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -75.05 -67.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.472 -1.24 . . . . 0.57999999999999996 110.193 178.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.78 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -52.89 -44.2 66.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.041 -0.981 . . . . 1.02 112.505 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.09 92.13 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.418 -0.896 . . . . 2.1299999999999999 112.548 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.435 ' HG2' " O3'" ' C' ' 14' ' ' ' DA' . 9.7 mtpm? -66.32 -57.99 6.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.236 0.541 . . . . 5.0700000000000003 111.642 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -132.08 11.51 4.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.657 -0.702 . . . . 7.3399999999999999 111.81 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -35.92 41.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 6.96 110.264 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.696 -0.669 . . . . 7.96 110.246 179.734 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 107.165 0.968 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C4'-C3'-C2' 102.143 -1.057 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.7 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-O3' 107.92 -1.082 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.7 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 O4'-C1'-C2' 107.125 0.932 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.787 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 N19-C1'-C2' 116.719 1.575 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.543 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.543 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.425 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C4'-C3'-C2' 102.178 -1.022 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.427 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.026 0.841 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.427 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 O4'-C1'-C2' 107.186 0.987 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.446 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.405 -0.795 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.689 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.444 1.023 0 C2'-C3'-O3' 115.279 1.733 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.78 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 109.681 2.352 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.756 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.509 0 C5'-C4'-C3' 117.858 2.105 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-C2' 106.963 0.785 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.163 0.966 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.461 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.366 -0.834 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.065 0.878 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C4'-C3'-C2' 102.229 -0.971 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.464 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C4'-C3'-C2' 102.337 -0.863 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.538 " C2'" ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 102.254 -0.946 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.538 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.366 -0.834 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 N19-C1'-C2' 115.781 0.988 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.412 ' C8 ' " O5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.157 0.961 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.213 -0.987 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.596 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.817 0 C4'-C3'-O3' 108.173 -0.967 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.635 ' H73' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 N19-C1'-C2' 115.739 0.962 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.778 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 N19-C1'-C2' 116.575 1.484 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.584 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 107.127 0.933 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.584 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 102.366 -0.834 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.083 0.894 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.451 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C5'-C4'-C3' 115.971 0.847 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.451 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 106.929 0.754 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.411 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.118 0.925 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.764 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.845 0 C4'-C3'-O3' 113.344 1.384 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 1.011 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 N19-C1'-C2' 116.828 1.643 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.612 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 109.741 2.426 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.486 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 N19-C1'-C2' 115.598 0.874 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.463 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C4'-C3'-C2' 102.241 -0.959 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.407 H2'' ' OP2' ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.227 -0.973 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.407 ' OP2' H2'' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.206 1.006 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.462 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.461 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.356 -0.844 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 106.972 0.793 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C4'-C3'-C2' 102.38 -0.82 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.873 0.368 . . . . 6.4100000000000001 110.592 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 3.7 pttm -90.64 146.12 33.58 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 116.275 -0.42 . . . . 4.7300000000000004 110.544 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 15.9 Cg_exo -68.55 107.57 1.65 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.969 2.446 . . . . 1.3 111.592 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 34.1 t -74.74 142.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.54000000000000004 110.091 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.543 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -108.26 168.08 9.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.413 -0.358 . . . . 0.40999999999999998 110.494 -179.01 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -65.32 -18.62 65.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 0.28999999999999998 110.672 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -76.51 -34.1 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.508 -0.553 . . . . 0.48999999999999999 109.508 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -36.25 73.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.76 -0.655 . . . . 1.75 109.642 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.58 -44.67 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.3 -0.864 . . . . 0.22 110.119 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.25 97.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.533 -0.758 . . . . 0.29999999999999999 111.123 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -66.71 -30.79 71.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 2.21 111.535 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -81.14 -33.02 33.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 1.49 111.108 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.41 -19.35 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.46000000000000002 110.956 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.6 25.63 35.06 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.909 -0.876 . . . . 0.52000000000000002 110.909 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.8 m -121.65 -167.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.995 -0.372 . . . . 0.35999999999999999 109.995 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 m -110.01 155.24 22.07 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.356 -0.609 . . . . 1.26 109.356 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.707 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 46.0 p90 -55.17 -31.04 61.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.361 . . . . 1.3200000000000001 111.144 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.548 HE21 ' CZ ' ' A' ' 22' ' ' ARG . 52.7 tp60 -64.1 -33.98 77.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0900000000000001 109.794 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 60.9 m -75.67 -37.17 59.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.48999999999999999 109.837 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' HA ' HG11 ' A' ' 38' ' ' VAL . 80.4 t -60.83 -55.17 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.849 -0.614 . . . . 0.25 110.525 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -63.46 -28.74 70.17 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.849 0.357 . . . . 0.87 110.478 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.79 ' HG3' HG22 ' A' ' 30' ' ' VAL . 19.1 tpp180 -61.46 -33.73 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.275 -0.639 . . . . 2.0299999999999998 109.275 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.68 HG13 ' HG3' ' A' ' 35' ' ' ARG . 85.2 t -86.4 -46.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.172 -0.922 . . . . 0.44 110.452 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' VAL . 73.6 t -56.95 -42.38 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 115.886 -0.597 . . . . 0.40999999999999998 111.664 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.51 -15.84 55.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 1.72 111.1 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 57.76 66.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.211 0.529 . . . . 4.8799999999999999 110.559 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.67 -152.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 2.27 110.873 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.14 -177.51 4.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.603 -0.517 . . . . 1.52 109.603 179.081 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CG ' ' H73' ' C' ' 4' ' ' ' DT' . 1.5 m170 61.71 33.12 18.15 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.157 0.429 . . . . 0.76000000000000001 112.157 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG22 ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -122.03 120.93 62.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.466 -0.494 . . . . 1.1599999999999999 111.843 -179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 94.5 p -93.91 149.55 21.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.633 -0.712 . . . . 1.3 109.676 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.84 -44.51 82.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.106 0.254 . . . . 1.0600000000000001 111.549 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -50.65 -49.8 56.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.967 -0.56 . . . . 3.3900000000000001 112.414 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.8 p -79.49 -34.2 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.647 -0.421 . . . . 0.65000000000000002 111.749 -179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.68 ' HG3' HG13 ' A' ' 23' ' ' VAL . 44.3 ttp180 -61.79 -36.68 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 3.3100000000000001 110.454 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 43.7 mt-10 -73.35 -25.9 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.494 0.553 . . . . 1.45 112.494 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.7 ptpt -91.57 -28.17 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.604 -0.438 . . . . 0.97999999999999998 111.31 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 20' ' ' VAL . 78.6 t -72.16 -43.73 65.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.532 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 22.8 mt-10 -69.03 -23.35 64.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.179 0.514 . . . . 1.5900000000000001 110.258 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.81 -41.61 29.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.594 -0.73 . . . . 0.52000000000000002 110.274 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.73 -40.66 88.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 0.37 111.418 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.713 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.6 ptp -71.69 -10.32 59.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.39000000000000001 111.156 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.34 -21.19 19.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.53000000000000003 110.122 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 18.1 mm-40 -81.35 -51.07 8.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.913 0.863 . . . . 1.3600000000000001 110.965 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -82.57 -8.51 59.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.41 -1.268 . . . . 1.8799999999999999 111.621 -178.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.97 61.93 0.91 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.678 0.751 . . . . 2.0099999999999998 109.247 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 17.9 t80 -76.33 130.67 38.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 1.1599999999999999 111.732 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -117.33 107.25 45.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 1.1599999999999999 109.751 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.16 121.66 9.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.55000000000000004 112.251 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.507 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 50.5 m-80 -74.27 113.75 11.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.196 -0.456 . . . . 0.54000000000000004 111.138 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 16.7 mmt180 -77.53 -27.93 51.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 5.04 111.615 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.34 -39.77 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.389 0.614 . . . . 0.82999999999999996 109.569 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -67.75 -33.73 75.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.358 -0.837 . . . . 0.45000000000000001 109.499 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.44 -36.49 74.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.466 -0.788 . . . . 1.21 109.444 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 1.074 ' HA ' ' HB2' ' A' ' 59' ' ' LYS . 53.9 mt-30 -79.04 5.44 11.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.4 -0.818 . . . . 2.0099999999999998 110.693 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 19.2 tp -116.55 -48.43 2.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.401 -0.818 . . . . 0.51000000000000001 109.626 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -65.79 -51.02 62.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.07 -0.968 . . . . 0.48999999999999999 112.373 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA3' " H4'" ' D' ' 15' ' ' ' DT' . . . -113.67 -35.59 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.337 -0.935 . . . . 1.1399999999999999 112.98 -179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 1.074 ' HB2' ' HA ' ' A' ' 55' ' ' GLN . 65.0 mttm -95.14 -170.33 2.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.754 0.312 . . . . 6.3499999999999996 110.476 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.483 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 3.9 mm-40 -141.26 131.69 25.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 6.5 110.56 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -90.47 67.46 6.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.64 -0.709 . . . . 7.21 110.162 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD23 ' HD2' ' B' ' 3' ' ' PRO . 13.3 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.607 -0.724 . . . . 9.6300000000000008 111.005 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.785 -0.45 . . . . 7.5 109.785 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? 60.3 83.58 0.21 Allowed Pre-proline 0 N--CA 1.465 0.298 0 O-C-N 123.717 0.636 . . . . 4.8700000000000001 110.826 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.489 ' HD2' HD23 ' A' ' 62' ' ' LEU . 53.1 Cg_endo -71.41 97.67 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.342 2.028 . . . . 1.49 111.792 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.645 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 92.1 t -72.29 134.46 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.661 -0.699 . . . . 0.78000000000000003 110.337 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.573 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 29.9 p -99.45 177.73 5.09 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.545 -0.752 . . . . 0.5 110.499 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.721 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -78.12 -11.6 59.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.847 -1.168 . . . . 0.65000000000000002 107.847 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.824 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 26.1 m-85 -75.16 -40.63 59.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.797 -1.547 . . . . 1.27 110.112 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.44 ' HB2' HG13 ' B' ' 4' ' ' VAL . 21.8 m-20 -64.87 -40.11 94.62 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 1.3100000000000001 110.4 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.467 ' HA ' HD23 ' B' ' 45' ' ' LEU . 52.4 t -60.52 -39.82 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 0.28000000000000003 110.676 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -70.87 -45.53 64.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.475 -0.784 . . . . 0.37 111.502 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -42.57 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 2.3399999999999999 111.258 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.62 ' CB ' HD21 ' B' ' 45' ' ' LEU . 76.5 t80 -66.69 -41.67 87.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 1.5800000000000001 111.091 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -74.57 -13.23 60.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.963 -0.562 . . . . 0.64000000000000001 111.81 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.99 77.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.58999999999999997 112.372 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' B' ' 13' ' ' ALA . 26.9 m -114.37 173.49 3.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 110.374 -0.232 . . . . 0.5 110.374 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 86.5 p -72.36 155.73 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.744 -0.835 . . . . 0.64000000000000001 108.744 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.562 ' HD2' ' CD2' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -67.05 -18.43 65.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.503 0.668 . . . . 1.49 109.875 -179.258 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.564 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 21.5 mt-30 -81.33 -19.88 41.88 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.675 -0.693 . . . . 0.96999999999999997 110.16 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -66.74 -36.03 81.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.978 -1.119 . . . . 0.54000000000000004 107.978 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.417 HG13 ' CG1' ' B' ' 38' ' ' VAL . 63.9 t -76.09 -38.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.494 -1.23 . . . . 0.44 108.946 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.2 t -55.18 -35.54 64.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.276 -0.875 . . . . 1.29 110.415 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HD3' ' HB2' ' B' ' 29' ' ' HIS . 24.8 mtt180 -68.69 -48.22 64.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 110.643 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.52 -36.4 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.41 0.624 . . . . 0.73999999999999999 110.08 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.517 HG21 HD12 ' B' ' 6' ' ' LEU . 13.1 t -70.64 -35.02 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 0.89000000000000001 110.721 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.13 -86.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 1.6799999999999999 111.061 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -153.18 44.79 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.405 -0.816 . . . . 4.0300000000000002 109.977 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.11 -135.54 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.747 0.655 . . . . 2.1499999999999999 110.116 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p 65.23 137.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.665 0.786 . . . . 1.98 111.912 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.902 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 2.5 m170 62.25 24.82 14.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.664 -0.698 . . . . 1.3100000000000001 111.447 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 122.71 56.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.79 0.328 . . . . 1.22 110.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 158.41 30.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.876 -0.602 . . . . 1.4199999999999999 110.206 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -45.42 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.854 0.316 . . . . 1.0700000000000001 111.854 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.93 -42.23 97.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.542 0.571 . . . . 3.2999999999999998 112.542 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.429 ' O ' HG23 ' B' ' 38' ' ' VAL . 12.3 p -79.89 -42.42 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.757 -0.377 . . . . 0.79000000000000004 111.793 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -56.44 -50.56 71.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 3.21 111.286 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -71.42 -26.6 62.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 2.0899999999999999 111.21 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.48 -38.94 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 1.6599999999999999 110.117 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 34' ' ' THR . 51.5 t -60.61 -49.77 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.42999999999999999 110.527 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.73 -36.03 79.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.595 -0.73 . . . . 1.79 110.802 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.44 -40.56 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.69999999999999996 110.781 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.42 72.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.912 -0.585 . . . . 0.46999999999999997 110.683 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.57 -25.71 64.8 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.87 -0.605 . . . . 0.52000000000000002 110.667 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.37 -21.0 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.62 111.253 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.81 -46.52 18.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.55 110.586 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' B' ' 12' ' ' TYR . 1.0 OUTLIER -81.98 -16.21 51.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.98999999999999999 110.422 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.494 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.5 t-20 68.82 61.29 0.34 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.074 -1.454 . . . . 1.77 107.074 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.645 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.3 t80 -55.0 108.37 0.4 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.25 -1.341 . . . . 1.3300000000000001 112.554 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.588 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 35.1 mm -113.64 89.54 15.92 Favored Pre-proline 0 N--CA 1.453 -0.309 0 N-CA-C 107.278 -1.379 . . . . 1.28 107.278 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 11.7 Cg_exo -27.24 126.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 1 C-N-CA 125.412 4.075 . . . . 0.82999999999999996 115.607 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -74.38 68.4 1.54 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.341 -0.845 . . . . 1.6399999999999999 108.771 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -45.6 -35.36 3.96 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 114.041 1.126 . . . . 4.7599999999999998 114.041 -177.252 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 90.6 m -62.8 -49.02 76.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.648 -0.421 . . . . 0.69999999999999996 111.601 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -84.41 -27.5 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.54000000000000004 111.566 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 60.0 mt-30 -75.45 -35.68 60.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.784 0.29 . . . . 1.49 111.784 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -69.16 -39.72 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.182 -1.044 . . . . 2.52 108.182 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.99 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.6 tp -65.12 -64.98 0.73 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.902 -1.499 . . . . 0.57999999999999996 110.888 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.834 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -76.29 7.26 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.02 113.308 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 21.87 4.96 Favored Glycine 0 N--CA 1.455 -0.067 0 C-N-CA 120.604 -0.808 . . . . 2.1299999999999999 112.95 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.646 ' HB2' " H4'" ' D' ' 12' ' ' ' DC' . 5.6 mttp -139.69 153.55 47.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.807 0.337 . . . . 5.0700000000000003 110.324 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -134.42 101.02 4.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 7.3399999999999999 110.394 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 57.9 m 65.49 104.01 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 124.02 0.825 . . . . 6.96 111.361 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.377 -0.82 . . . . 7.96 111.281 -179.119 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 106.941 0.765 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.268 -0.932 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.827 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.226 1.023 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.827 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 N19-C1'-C2' 115.742 0.964 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.61 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C2'-C3'-O3' 114.541 1.46 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.518 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 102.251 -0.949 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.46 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 107.046 0.86 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.489 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C2'-C3'-O3' 113.324 1.009 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.489 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.538 0.922 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.426 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C5'-C4'-O4' 107.944 -0.91 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.604 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.444 1.02 0 C2'-C3'-O3' 115.225 1.713 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.834 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C1'-N19 109.664 2.33 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.721 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.206 0 P-O5'-C5' 117.393 -2.192 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.462 ' C2 ' ' N7 ' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.013 0.83 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.217 -0.983 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.503 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 C4'-C3'-C2' 102.278 -0.922 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.539 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.365 -0.835 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.539 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 102.385 -0.815 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.532 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-C2' 107.036 0.851 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.413 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 N19-C1'-C2' 115.824 1.015 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.439 " O5'" ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.513 0 O4'-C1'-C2' 107.07 0.882 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.403 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.302 -0.898 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.719 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C5'-C4'-C3' 116.311 1.074 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.719 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 N19-C1'-C2' 116.017 1.136 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.902 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 N19-C1'-C2' 115.892 1.057 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.555 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 C4'-C3'-C2' 102.215 -0.985 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.555 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C5'-C4'-C3' 116.035 0.89 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.441 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.516 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.516 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-N19 108.91 1.388 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.411 ' OP2' H2'' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.833 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-O3' 113.545 1.475 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.99 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 116.039 1.149 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " H5'" " H1'" ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-N19 109.764 2.455 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.526 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.185 0 C2'-C3'-O3' 113.264 0.987 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.514 ' C5 ' ' C2 ' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.005 0.823 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.453 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C2'-C3'-O3' 112.799 0.814 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.421 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 106.979 0.799 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-C2' 102.261 -0.939 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C4'-C3'-C2' 102.311 -0.889 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.462 " H5'" " H1'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 107.05 0.864 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.424 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 N19-C1'-C2' 116.018 1.136 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.026 0.841 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.129 -0.323 . . . . 6.4100000000000001 110.129 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -91.58 126.72 53.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 4.7300000000000004 110.377 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -76.19 85.48 1.67 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.347 2.031 . . . . 1.3 111.131 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.703 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 20.2 t -76.34 132.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.71 -0.677 . . . . 0.54000000000000004 109.933 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.5 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.6 OUTLIER -107.8 171.18 7.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.932 -0.576 . . . . 0.40999999999999998 110.324 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.933 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -66.47 -15.72 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.28999999999999998 110.44 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -74.54 -36.13 63.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.986 -0.746 . . . . 0.48999999999999999 108.986 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.52 -40.35 85.12 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.401 -0.818 . . . . 1.75 110.035 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 t -66.73 -41.73 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.492 -0.777 . . . . 0.22 109.809 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.27 88.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.239 -0.891 . . . . 0.29999999999999999 110.719 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.83 -29.45 63.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.89 0.376 . . . . 2.21 111.216 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.9 t80 -76.85 -36.18 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 1.49 111.147 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.47 -13.98 31.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.873 0.368 . . . . 0.46000000000000002 111.412 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.39 33.75 38.38 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.359 -0.696 . . . . 0.52000000000000002 111.359 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -123.71 -164.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.806 -0.442 . . . . 0.35999999999999999 109.806 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.531 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 51.0 p -104.53 154.94 19.27 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.534 -0.543 . . . . 1.26 109.534 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.933 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.1 p90 -62.45 -27.68 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.168 0.509 . . . . 1.3200000000000001 109.676 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.3 tp60 -65.74 -41.98 91.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.863 -0.791 . . . . 1.0900000000000001 108.863 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.5 m -61.91 -45.26 94.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.7 -0.682 . . . . 0.48999999999999999 109.343 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 68.9 t -56.85 -49.17 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.79 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.6 t -62.31 -34.66 77.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 0.87 110.5 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 29' ' ' HIS . 89.5 mtt-85 -69.49 -23.92 63.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 2.0299999999999998 110.449 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 35' ' ' ARG . 94.2 t -85.27 -51.53 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.186 0.517 . . . . 0.44 110.224 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' VAL . 48.8 t -60.37 -46.93 94.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.40999999999999998 112.45 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -100.08 1.37 42.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 54.44 61.14 3.14 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.321 0.581 . . . . 4.8799999999999999 109.866 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -92.58 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.593 -0.73 . . . . 2.27 111.898 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 5.0 t 60.76 -174.6 0.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.219 -0.446 . . . . 1.52 110.632 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.624 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 0.9 OUTLIER 59.68 33.57 21.93 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.296 0.239 . . . . 0.76000000000000001 111.098 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -128.23 130.45 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.928 0.394 . . . . 1.1599999999999999 111.191 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -101.21 155.8 17.81 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.577 -0.738 . . . . 1.3 109.243 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.5 -34.38 70.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 1.0600000000000001 111.278 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 74.3 tttt -54.9 -44.69 74.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.84 -0.618 . . . . 3.3900000000000001 111.795 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -93.51 -34.43 13.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.587 0.588 . . . . 0.65000000000000002 112.587 -179.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.655 ' HG3' HG13 ' A' ' 23' ' ' VAL . 56.5 ttt180 -58.41 -43.3 88.58 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.029 0.381 . . . . 3.3100000000000001 112.029 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 32.8 mt-10 -70.36 -27.19 64.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.649 0.611 . . . . 1.45 112.649 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 34' ' ' THR . 16.3 ptpt -81.53 -28.76 33.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.246 -0.582 . . . . 0.97999999999999998 110.111 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 84.5 t -73.79 -42.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.495 . . . . 0.35999999999999999 109.72 178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 1.5900000000000001 109.817 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.37 -43.51 27.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.52000000000000002 110.873 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -60.61 -44.14 96.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.37 111.79 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.709 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 17.5 ptp -68.8 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.39000000000000001 111.462 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.61 -10.9 30.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.155 0.502 . . . . 0.53000000000000003 109.769 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.1 mm-40 -87.25 -57.11 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 1.3600000000000001 111.186 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -86.39 3.21 44.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.429 -0.805 . . . . 1.8799999999999999 112.536 -179.093 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m120 62.16 66.84 0.77 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.585 0.553 . . . . 2.0099999999999998 111.481 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.2 t80 -78.06 136.76 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.978 -0.556 . . . . 1.1599999999999999 111.212 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.92 113.74 32.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 1.1599999999999999 110.452 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.02 122.09 10.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 0.55000000000000004 111.469 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -80.0 108.46 13.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.54000000000000004 112.049 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -72.58 -22.77 60.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 5.04 110.892 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.84 -42.65 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.495 0.664 . . . . 0.82999999999999996 109.714 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -72.03 -30.12 64.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.248 -0.887 . . . . 0.45000000000000001 109.82 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -65.48 -40.35 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.393 -0.821 . . . . 1.21 110.177 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.69 -33.71 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.8 -0.636 . . . . 2.0099999999999998 110.486 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.9 tp -73.94 -49.65 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.51000000000000001 111.173 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.454 ' CB ' " H5'" ' D' ' 15' ' ' ' DT' . . . -63.37 -27.9 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.48999999999999999 110.768 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.03 -2.95 87.88 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.158 -0.777 . . . . 1.1399999999999999 111.158 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' P ' ' C' ' 12' ' ' ' DG' . 61.5 tttm 70.34 -58.7 0.54 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.982 0.913 . . . . 6.3499999999999996 111.726 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -88.4 105.97 17.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.141 -0.481 . . . . 6.5 110.641 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -92.22 116.95 29.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.195 -0.457 . . . . 7.21 109.866 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.283 -0.865 . . . . 9.6300000000000008 111.361 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 121.158 0.504 . . . . 7.5 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 16.0 tptm -100.56 116.43 64.29 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.099 -0.5 . . . . 4.8700000000000001 110.513 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 6.2 Cg_exo -73.45 96.75 0.91 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.954 2.436 . . . . 1.49 112.193 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 48.4 t -86.77 140.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.591 -0.731 . . . . 0.78000000000000003 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.579 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 16.2 p -93.0 166.86 12.16 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.373 -0.603 . . . . 0.5 109.373 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.84 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -81.1 -5.81 58.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.235 -1.024 . . . . 0.65000000000000002 108.235 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.716 ' CE1' " H2'" ' C' ' 13' ' ' ' DG' . 5.1 m-85 -81.18 -31.06 34.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.225 -1.352 . . . . 1.27 109.263 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.54 -32.01 69.28 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.362 -0.836 . . . . 1.3100000000000001 109.119 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' B' ' 45' ' ' LEU . 46.7 t -64.67 -42.7 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.979 -1.009 . . . . 0.28000000000000003 110.362 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -65.59 -50.54 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.37 111.586 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 13.3 mm-40 -62.64 -37.95 88.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 2.3399999999999999 111.845 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.523 ' CB ' HD21 ' B' ' 45' ' ' LEU . 89.9 t80 -66.88 -49.2 66.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.693 0.283 . . . . 1.5800000000000001 111.017 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.63 -29.4 70.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.64000000000000001 111.342 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.07 59.85 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.589 -0.815 . . . . 0.58999999999999997 111.778 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.93 164.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.042 -0.355 . . . . 0.5 110.042 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -67.97 149.15 50.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.741 -0.837 . . . . 0.64000000000000001 108.741 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.649 ' HE2' ' C8 ' ' C' ' 14' ' ' ' DA' . 64.9 t80 -59.18 -30.89 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 1.49 110.831 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -65.45 -34.09 77.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.96999999999999997 110.449 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.0 m -59.8 -33.87 72.29 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.637 0.732 . . . . 0.54000000000000004 109.064 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' B' ' 10' ' ' ALA . 62.6 t -71.76 -52.29 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.293 -0.867 . . . . 0.44 108.946 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.5 t -48.79 -34.5 12.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.818 -0.628 . . . . 1.29 111.307 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 41.3 mmt180 -58.82 -59.55 5.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 2.6600000000000001 110.492 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -60.76 -39.56 82.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.925 -0.58 . . . . 0.73999999999999999 111.343 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.06 -34.51 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.716 . . . . 0.89000000000000001 111.238 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.447 HD21 " H3'" ' C' ' 15' ' ' ' DT' . 8.0 m-80 -77.52 -74.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 1.6799999999999999 111.371 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -169.03 47.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.302 -0.863 . . . . 4.0300000000000002 109.788 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.87 -129.21 1.54 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.248 -0.887 . . . . 2.1499999999999999 110.408 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 70.74 124.2 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.174 0.511 . . . . 1.98 111.53 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.722 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 59.74 39.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.549 -0.751 . . . . 1.3100000000000001 111.377 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -134.39 131.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.882 0.372 . . . . 1.22 110.538 178.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.02 167.74 10.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.891 -0.595 . . . . 1.4199999999999999 109.928 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.16 71.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 1.0700000000000001 111.196 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HE2' ' B' ' 37' ' ' LYS . 52.4 mtmt -62.31 -31.29 71.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 3.2999999999999998 111.982 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 38' ' ' VAL . 2.9 p -103.52 -48.53 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.319 0.488 . . . . 0.79000000000000004 112.319 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.481 ' HB2' ' HB ' ' B' ' 30' ' ' VAL . 33.0 ttp180 -56.0 -52.93 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.709 0.29 . . . . 3.21 111.604 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -65.02 -34.26 78.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.128 0.489 . . . . 2.0899999999999999 110.277 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 24.3 ttmm -62.4 -43.04 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.752 -0.658 . . . . 1.6599999999999999 111.078 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 34' ' ' THR . 66.4 t -68.47 -48.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.42999999999999999 110.817 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.34 -42.41 86.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.429 -0.351 . . . . 1.79 110.736 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -68.57 -37.28 79.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.069 -0.514 . . . . 0.69999999999999996 111.017 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.4 73.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.46999999999999997 110.426 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.44 -25.24 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.52000000000000002 110.52 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.87 -29.98 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.62 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 47.8 mm-40 -70.26 -50.4 40.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.2 0.524 . . . . 1.55 110.166 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.558 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.5 OUTLIER -77.4 -16.69 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.6 -0.727 . . . . 0.98999999999999999 110.67 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.38 49.82 2.42 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 106.523 -1.658 . . . . 1.77 106.523 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.2 t80 -53.95 122.32 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 113.507 -1.678 . . . . 1.3300000000000001 112.775 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 mm -106.58 102.83 43.57 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 107.41 -1.33 . . . . 1.28 107.41 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 47' ' ' TYR . 21.7 Cg_exo -34.27 125.45 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 124.075 3.183 . . . . 0.82999999999999996 114.672 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' B' ' 5' ' ' THR . 5.7 m-20 -73.86 59.11 0.67 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.938 -1.028 . . . . 1.6399999999999999 110.104 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -48.66 -39.65 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.112 0.782 . . . . 4.7599999999999998 113.112 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.5 m -59.75 -53.28 59.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.779 0.263 . . . . 0.69999999999999996 111.539 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.512 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -76.76 -23.68 52.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.591 -0.277 . . . . 0.54000000000000004 111.447 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.4 -41.49 56.08 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.431 0.16 . . . . 1.49 111.431 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -64.29 -38.75 92.16 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.487 -0.931 . . . . 2.52 108.487 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.95 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -63.83 -61.13 2.49 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 113.998 -1.455 . . . . 0.57999999999999996 109.657 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.668 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -76.28 55.38 0.97 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.411 -0.813 . . . . 1.02 111.373 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' B' ' 62' ' ' LEU . . . -89.46 43.79 3.03 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.051 -0.595 . . . . 2.1299999999999999 112.092 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 69.15 -73.06 0.09 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.43 0.692 . . . . 5.0700000000000003 111.452 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -133.26 -46.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 7.3399999999999999 111.024 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -148.65 -17.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.609 -0.268 . . . . 6.96 111.501 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.639 ' HB2' ' HA3' ' B' ' 58' ' ' GLY . 20.8 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.534 -0.746 . . . . 7.96 111.014 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.607 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.088 0.898 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.315 -0.885 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.778 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.85 0 O4'-C1'-C2' 107.213 1.012 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.778 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.544 0 O4'-C1'-C2' 107.155 0.959 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.624 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.441 0.767 0 N19-C1'-C2' 116.176 1.235 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.531 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.488 0.861 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.422 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.154 0.958 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.211 -0.989 . . . . 0.70999999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O4'-C1'-C2' 107.032 0.847 . . . . 0.72999999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.477 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.481 -0.719 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.623 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.943 0 C2'-C3'-O3' 115.5 1.815 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.716 " H2'" ' CE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C1'-N19 109.495 2.118 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.84 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.325 0 C5'-C4'-C3' 118.371 2.447 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.448 ' OP2' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.526 0 P-O3'-C3' 120.996 1.08 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C5'-C4'-C3' 116.057 0.905 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.411 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.024 0.84 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 102.386 -0.814 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 102.288 -0.912 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.432 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C4'-C3'-C2' 102.337 -0.863 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.441 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C4'-C3'-C2' 102.228 -0.972 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.441 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.079 0.89 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.418 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 115.754 0.972 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O4'-C1'-C2' 107.07 0.881 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 102.191 -1.009 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.498 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.127 0.933 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.722 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 N19-C1'-C2' 116.431 1.394 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.512 " H5'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 N19-C1'-C2' 116.062 1.164 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.575 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 102.266 -0.934 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.575 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C4'-C3'-C2' 102.181 -1.019 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.439 ' OP2' H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 106.961 0.782 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.294 -0.906 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.46 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.034 0.849 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-C2' 102.41 -0.79 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.888 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C4'-C3'-O3' 113.412 1.415 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.95 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 N19-C1'-C2' 116.517 1.448 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.573 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.751 2.439 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.456 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.073 0 C2'-C3'-O3' 113.413 1.042 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 106.897 0.725 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 102.222 -0.978 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.461 ' OP2' H2'' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 107.025 0.841 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.405 " H1'" " H5'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 102.263 -0.937 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.546 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.535 0 O4'-C1'-N19 108.57 0.963 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.546 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O4'-C1'-N19 108.628 1.034 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.46 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.023 0.839 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 106.917 0.743 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 ttp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.826 0.346 . . . . 6.4100000000000001 110.129 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -99.68 116.02 65.15 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.288 -0.415 . . . . 4.7300000000000004 110.069 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -69.86 109.56 2.36 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.321 2.014 . . . . 1.3 111.555 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.747 HG11 ' HG ' ' A' ' 45' ' ' LEU . 26.1 t -81.56 130.99 34.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.798 -0.637 . . . . 0.54000000000000004 109.646 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 0.8 OUTLIER -103.31 169.15 8.72 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.894 -0.594 . . . . 0.40999999999999998 110.372 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.73 -16.9 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.525 -0.307 . . . . 0.28999999999999998 110.353 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -73.71 -35.06 65.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.475 -0.565 . . . . 0.48999999999999999 109.475 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.67 77.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.329 -0.85 . . . . 1.75 109.884 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD21 ' A' ' 45' ' ' LEU . 21.8 t -69.75 -42.13 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.22 110.294 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.22 85.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.831 . . . . 0.29999999999999999 110.125 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.72 -34.58 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 2.21 110.245 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.6 t80 -70.24 -40.14 74.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.201 -0.454 . . . . 1.49 111.451 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.13 -15.03 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.46000000000000002 111.354 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.49 36.53 33.67 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.098 -0.801 . . . . 0.52000000000000002 111.098 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.6 m -124.47 -162.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.045 -0.577 . . . . 0.35999999999999999 110.248 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.504 ' HB2' ' C7 ' ' C' ' 7' ' ' ' DT' . 47.3 p -104.62 157.35 17.24 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.018 -0.734 . . . . 1.26 109.018 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.854 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 45.3 p90 -65.79 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.233 -0.587 . . . . 1.3200000000000001 109.514 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 HE21 ' HG3' ' A' ' 22' ' ' ARG . 9.9 tp60 -66.79 -39.78 87.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.57 -0.9 . . . . 1.0900000000000001 108.57 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.3 m -62.49 -44.96 95.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.48999999999999999 109.546 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 38' ' ' VAL . 76.6 t -56.31 -50.81 69.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.183 -0.917 . . . . 0.25 110.603 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -61.41 -37.64 84.2 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.211 -0.45 . . . . 0.87 110.858 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.688 ' HB3' HG22 ' A' ' 30' ' ' VAL . 72.4 mtt-85 -63.23 -30.71 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.397 -0.365 . . . . 2.0299999999999998 110.818 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' THR . 64.1 t -83.13 -48.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.407 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HE2' ' A' ' 47' ' ' TYR . 92.4 t -59.42 -42.25 87.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.797 -0.638 . . . . 0.40999999999999998 111.378 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -82.58 -17.0 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 1.72 111.079 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 62.97 57.71 1.61 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.58 0.55 . . . . 4.8799999999999999 110.227 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.72 -155.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 2.27 111.796 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.62 -179.96 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.52 110.715 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.675 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 1.7 m170 63.67 30.21 14.88 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.793 0.437 . . . . 0.76000000000000001 111.139 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 22' ' ' ARG . 1.6 t -124.45 116.94 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.566 -0.454 . . . . 1.1599999999999999 111.248 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 p -84.46 149.72 25.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.712 -0.676 . . . . 1.3 109.44 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.71 -26.38 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.257 -0.429 . . . . 1.0600000000000001 111.591 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 37.6 ttpt -61.97 -57.2 12.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 3.3900000000000001 111.302 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.556 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.88 -29.11 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.424 0.527 . . . . 0.65000000000000002 112.424 -178.508 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG3' HG13 ' A' ' 23' ' ' VAL . 41.6 ttm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 3.3100000000000001 111.057 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 52.0 mt-10 -74.26 -24.09 59.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.777 -0.647 . . . . 1.45 111.622 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 23.1 mtpp -77.5 -38.74 48.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.97999999999999998 110.176 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 20' ' ' VAL . 61.0 t -71.19 -44.82 73.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.35999999999999999 110.965 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -62.89 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.284 0.564 . . . . 1.5900000000000001 110.061 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.38 -42.14 59.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.739 -0.664 . . . . 0.52000000000000002 110.913 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -66.28 -42.74 88.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.37 112.066 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.4 ptp -68.13 -10.09 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.057 0.391 . . . . 0.39000000000000001 112.057 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.77 -16.94 22.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 0.53000000000000003 110.209 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -80.83 -60.01 2.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 1.3600000000000001 110.743 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.747 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -81.91 0.58 39.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 1.8799999999999999 112.458 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 62.92 67.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.126 0.489 . . . . 2.0099999999999998 111.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.763 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.1 t80 -75.15 130.89 39.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.707 -0.678 . . . . 1.1599999999999999 111.43 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.93 106.66 55.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 1.1599999999999999 110.327 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.3 120.26 7.84 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.526 2.151 . . . . 0.55000000000000004 111.184 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.519 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 47.5 m-80 -79.66 108.32 13.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.327 -0.397 . . . . 0.54000000000000004 111.535 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -73.45 -22.69 60.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 5.04 110.768 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -77.92 -41.31 36.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.357 -0.383 . . . . 0.82999999999999996 110.105 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.655 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -68.83 -30.79 69.41 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.45000000000000001 109.757 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.74 -41.07 88.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.799 -0.637 . . . . 1.21 110.543 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.39 -32.7 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 2.0099999999999998 109.972 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.631 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.0 tp -75.35 -50.55 15.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 110.623 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.36 -31.83 72.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.48999999999999999 110.783 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.86 1.7 87.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.029 -0.605 . . . . 1.1399999999999999 111.851 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt 68.19 112.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.313 0.645 . . . . 6.3499999999999996 111.616 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -103.52 128.43 50.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.402 0.62 . . . . 6.5 110.926 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -124.19 -19.56 5.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.666 -0.697 . . . . 7.21 110.169 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.549 -0.75 . . . . 9.6300000000000008 110.12 -179.669 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.64 -0.133 . . . . 7.5 110.64 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 53.28 75.19 0.66 Allowed Pre-proline 0 N--CA 1.466 0.355 0 O-C-N 123.45 0.469 . . . . 4.8700000000000001 111.41 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -83.52 98.46 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.511 2.141 . . . . 1.49 112.045 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.732 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 60.7 t -65.51 136.02 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.735 . . . . 0.78000000000000003 109.556 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.568 HG22 HD21 ' B' ' 50' ' ' ASN . 16.6 p -90.75 169.25 11.12 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.843 -0.617 . . . . 0.5 111.455 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.686 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -79.44 -7.7 58.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.458 -1.312 . . . . 0.65000000000000002 107.458 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.777 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 18.5 m-85 -79.78 -44.54 20.46 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 113.718 -1.583 . . . . 1.27 109.628 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.54 -37.19 86.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.275 -0.875 . . . . 1.3100000000000001 110.989 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' B' ' 45' ' ' LEU . 56.5 t -62.64 -41.79 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.319 0.581 . . . . 0.28000000000000003 109.946 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -50.27 63.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.201 -0.909 . . . . 0.37 111.189 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 7' ' ' TYR . 91.9 mt-10 -57.64 -36.56 72.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 2.3399999999999999 111.286 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 80.0 t80 -68.95 -51.47 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 1.5800000000000001 111.205 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.701 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -65.09 -30.74 71.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.64000000000000001 111.736 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.11 8.37 41.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.943 -0.646 . . . . 0.58999999999999997 112.164 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.97 169.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.243 . . . . 0.5 110.345 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.92 41.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.321 -0.622 . . . . 0.64000000000000001 109.321 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.583 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -62.76 -25.82 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 1.49 110.525 -179.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.5 -22.34 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.426 . . . . 0.96999999999999997 110.424 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -67.22 -29.18 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.643 -0.873 . . . . 0.54000000000000004 108.643 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.21 -41.0 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.042 -0.981 . . . . 0.44 109.066 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -50.82 -30.99 15.76 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.885 -0.598 . . . . 1.29 110.626 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.12 -64.07 0.93 Allowed 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.587 -0.733 . . . . 2.6600000000000001 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.43 HG23 ' H ' ' B' ' 23' ' ' VAL . 3.6 t -58.43 -29.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.73999999999999999 111.714 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.506 HG21 HD12 ' B' ' 6' ' ' LEU . 15.0 t -67.3 -29.19 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.29 -0.414 . . . . 0.89000000000000001 111.564 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -119.52 -85.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.334 0.588 . . . . 1.6799999999999999 110.677 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -115.19 103.76 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.1 -0.955 . . . . 4.0300000000000002 108.908 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.69 57.25 0.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.592 -0.731 . . . . 2.1499999999999999 112.779 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.444 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.4 p -98.59 149.12 23.1 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.273 -1.01 . . . . 1.98 108.273 178.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.577 ' CG ' ' H73' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.16 34.31 21.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 1.3100000000000001 109.535 -177.702 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 28' ' ' SER . 21.2 t -129.71 122.45 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 1.22 109.811 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.51 161.97 26.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 1.4199999999999999 110.676 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.87 -52.9 61.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.514 0.509 . . . . 1.0700000000000001 111.705 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -59.6 -39.48 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 3.2999999999999998 111.227 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 20.2 m -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.607 -0.269 . . . . 0.79000000000000004 111.604 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 35' ' ' ARG . 19.6 ttt85 -61.88 -50.36 72.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.167 -0.309 . . . . 3.21 110.167 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.25 -33.59 73.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.752 -0.658 . . . . 2.0899999999999999 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.701 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 36.3 ttmt -63.39 -47.41 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 1.6599999999999999 110.643 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.48 -47.31 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.42999999999999999 111.508 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.44 -38.78 81.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.79 111.075 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.01 84.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.69999999999999996 110.26 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.41 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.46999999999999997 110.734 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 60.7 mtt -59.61 -27.05 65.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.259 -0.428 . . . . 0.52000000000000002 110.297 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.87 -19.45 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.62 111.136 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -75.87 -51.94 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.55 110.375 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' B' ' 9' ' ' VAL . 1.2 mm? -80.57 -15.72 55.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 0.98999999999999999 110.463 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.488 ' O ' HG13 ' B' ' 48' ' ' ILE . 2.6 t-20 69.07 54.87 0.43 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.392 -1.336 . . . . 1.77 107.392 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.732 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.1 t80 -52.37 117.0 2.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.09 -1.414 . . . . 1.3300000000000001 112.745 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 46' ' ' ASN . 78.3 mt -124.19 93.23 47.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.454 -1.248 . . . . 1.28 107.784 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.518 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.9 Cg_exo -33.43 127.88 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.795 3.663 . . . . 0.82999999999999996 114.675 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.568 HD21 HG22 ' B' ' 5' ' ' THR . 1.8 m120 -55.21 91.67 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.245 0 O-C-N 124.097 0.873 . . . . 1.6399999999999999 110.76 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -54.38 -35.95 63.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.941 0.401 . . . . 4.7599999999999998 111.638 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 19.2 m -77.99 -56.09 4.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.236 0.458 . . . . 0.69999999999999996 112.236 -178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.55 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -70.82 -37.39 73.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.9 1.074 . . . . 0.54000000000000004 113.9 -177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 55.7 mt-30 -69.76 -45.04 68.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.301 0.5 . . . . 1.49 112.11 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -65.02 -35.36 80.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.237 0.541 . . . . 2.52 109.81 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 1.025 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.6 tp -67.58 -68.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.953 -1.021 . . . . 0.57999999999999996 110.549 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.896 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -52.54 -36.29 55.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.257 -0.883 . . . . 1.02 112.468 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.58 78.92 1.12 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.639 -0.791 . . . . 2.1299999999999999 112.559 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.572 ' HA ' H5'' ' C' ' 15' ' ' ' DT' . 17.5 pttp -75.29 -22.19 57.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.398 0.618 . . . . 5.0700000000000003 109.747 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.77 44.29 2.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.271 -0.877 . . . . 7.3399999999999999 110.145 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -70.35 123.57 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.898 -0.592 . . . . 6.96 110.904 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.571 -0.728 . . . . 7.96 109.942 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.583 0 O4'-C1'-C2' 107.045 0.859 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 102.336 -0.864 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.791 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.714 0 O4'-C1'-C2' 107.141 0.946 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.791 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.151 0.955 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.675 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 N19-C1'-C2' 116.162 1.226 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.46 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O4'-C1'-C2' 106.997 0.816 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.504 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.411 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C1'-C2' 107.015 0.832 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.411 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 102.246 -0.954 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.439 ' C4 ' ' C4 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.086 0.897 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.471 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 102.415 -0.785 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.631 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.205 0 C2'-C3'-O3' 115.599 1.852 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.896 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 O4'-C1'-N19 109.331 1.914 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.686 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.418 -1.364 0 C5'-C4'-C3' 118.33 2.42 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.572 H5'' ' HA ' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 P-O3'-C3' 120.911 1.009 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.466 ' N6 ' ' C4 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.095 0.904 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.423 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.423 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.007 0.825 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 C4'-C3'-C2' 102.274 -0.926 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.586 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.241 -0.959 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.586 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 N19-C1'-C2' 115.56 0.85 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.511 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 N19-C1'-C2' 116.177 1.236 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.459 " O5'" ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 107.128 0.934 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.498 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C4'-C3'-C2' 102.293 -0.907 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.807 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O4'-C1'-C2' 107.221 1.019 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.807 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 N19-C1'-C2' 116.481 1.425 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.535 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C2'-C3'-O3' 114.173 1.323 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.715 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 O4'-C1'-C2' 107.281 1.073 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.715 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.09 0.9 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.216 1.014 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 102.3 -0.9 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.461 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.081 0.892 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C4'-C3'-C2' 102.382 -0.818 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.922 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-O3' 113.081 1.264 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 1.025 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 N19-C1'-C2' 116.373 1.358 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.655 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.485 2.106 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.51 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 106.981 0.801 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.44 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 102.369 -0.831 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 102.226 -0.974 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.416 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C4'-C3'-C2' 102.414 -0.786 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.151 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.513 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.564 0.955 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.513 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C4'-C3'-C2' 102.331 -0.869 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.46 ' H71' " C2'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 C4'-C3'-C2' 102.322 -0.878 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 O4'-C1'-C2' 107.039 0.854 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tmm? . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.348 -0.241 . . . . 6.4100000000000001 110.348 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -104.51 116.53 60.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 110.222 -0.288 . . . . 4.7300000000000004 110.222 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.62 105.0 1.91 Allowed 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.358 2.038 . . . . 1.3 112.436 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.765 HG11 ' HG ' ' A' ' 45' ' ' LEU . 59.7 t -92.54 132.56 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.104 -0.702 . . . . 0.54000000000000004 109.104 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.576 ' HB ' " H3'" ' D' ' 13' ' ' ' DG' . 1.0 OUTLIER -105.1 172.64 6.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.456 -0.338 . . . . 0.40999999999999998 110.657 -178.135 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.8 pt? -64.57 -17.65 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.122 -0.49 . . . . 0.28999999999999998 110.646 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.07 -33.52 63.71 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.423 -0.353 . . . . 0.48999999999999999 110.457 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.53 -35.14 60.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.723 -0.473 . . . . 1.75 109.723 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.3 -43.5 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.364 -0.606 . . . . 0.22 109.364 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.84 94.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.175 -0.92 . . . . 0.29999999999999999 110.078 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.614 -0.721 . . . . 2.21 110.464 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.7 t80 -76.07 -39.81 54.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 1.49 111.095 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.76 -16.41 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.46000000000000002 111.676 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.17 33.37 32.69 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.583 -0.817 . . . . 0.52000000000000002 111.425 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.8 m -123.3 -175.16 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.998 -0.601 . . . . 0.35999999999999999 109.835 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -94.97 157.51 15.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.155 -0.684 . . . . 1.26 109.155 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.654 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 54.2 p90 -60.14 -32.66 71.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.61 -0.436 . . . . 1.3200000000000001 110.928 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 10.0 tp60 -66.19 -33.25 75.33 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.109 -0.7 . . . . 1.0900000000000001 109.109 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.61 -39.51 88.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.48999999999999999 109.87 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.614 ' HA ' HG11 ' A' ' 38' ' ' VAL . 52.1 t -60.06 -57.19 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.25 110.257 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 66.0 m -63.56 -25.25 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.87 110.393 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.7 tpp180 -61.76 -32.04 72.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 2.0299999999999998 109.835 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.913 HG22 HG11 ' A' ' 30' ' ' VAL . 40.4 t -88.7 -46.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.165 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.7 t -62.37 -55.62 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 114.439 1.274 . . . . 0.40999999999999998 114.439 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -122.03 3.49 9.91 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.738 1.384 . . . . 1.72 114.738 -175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.477 ' CG ' ' HA ' ' A' ' 22' ' ' ARG . 15.2 mm100 -106.03 -45.58 4.3 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.478 -0.889 . . . . 4.8799999999999999 111.356 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.65 27.22 13.93 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.42 0.629 . . . . 2.27 111.497 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 p -146.54 156.03 42.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.453 -0.794 . . . . 1.52 108.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.748 ' CG ' ' H72' ' C' ' 4' ' ' ' DT' . 4.2 m170 63.72 26.56 14.52 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.514 0.326 . . . . 0.76000000000000001 111.415 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -122.94 132.89 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.1599999999999999 111.458 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -90.95 163.18 14.44 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.361 -0.836 . . . . 1.3 108.964 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.99 82.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 1.0600000000000001 111.081 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 42.9 tttm -58.88 -45.23 90.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 3.3900000000000001 111.771 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -81.67 -40.33 23.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.347 0.499 . . . . 0.65000000000000002 112.347 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' A' ' 23' ' ' VAL . 42.3 ttp180 -57.97 -50.26 74.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.959 0.355 . . . . 3.3100000000000001 111.959 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -75.64 -11.44 60.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.149 -0.478 . . . . 1.45 111.98 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 18.8 ttmm -90.53 -35.43 15.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.409 . . . . 0.97999999999999998 110.28 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 20' ' ' VAL . 96.3 t -75.47 -43.85 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.884 -0.598 . . . . 0.35999999999999999 110.043 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -61.72 -31.55 71.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 1.5900000000000001 109.85 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -80.61 -36.52 32.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.52000000000000002 111.087 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.596 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -66.31 -44.36 83.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.37 111.203 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.836 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.4 ptp -69.26 -8.5 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 0.39000000000000001 111.202 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.46 -23.07 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.232 0.539 . . . . 0.53000000000000003 110.348 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 7.3 mm-40 -78.16 -57.1 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 1.3600000000000001 111.226 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.765 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -85.17 0.96 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.858 -0.61 . . . . 1.8799999999999999 112.33 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t30 59.2 77.06 0.33 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.728 0.775 . . . . 2.0099999999999998 110.657 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 11.3 t80 -82.51 138.76 34.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.982 -1.008 . . . . 1.1599999999999999 110.962 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.6 112.12 34.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.1599999999999999 110.321 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 119.68 6.8 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.444 2.096 . . . . 0.55000000000000004 111.528 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 46.2 m-80 -76.04 105.99 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.54000000000000004 111.21 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -69.26 -28.94 66.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 5.04 110.804 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.522 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -71.97 -42.47 66.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.821 -0.437 . . . . 0.82999999999999996 109.821 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.6 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.69 -31.58 72.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.394 -0.595 . . . . 0.45000000000000001 109.394 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -66.58 -41.87 87.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.938 -1.028 . . . . 1.21 110.326 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.16 -32.38 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.767 -0.652 . . . . 2.0099999999999998 110.311 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.668 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.3 tp -77.66 -45.58 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.51000000000000001 110.933 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' CB ' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.07 -24.27 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.48999999999999999 110.83 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.27 56.19 3.28 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.876 -0.678 . . . . 1.1399999999999999 112.266 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.54 -38.28 80.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.621 0.248 . . . . 6.3499999999999996 110.632 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.93 66.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.66 . . . . 6.5 109.883 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -8.17 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.549 -0.751 . . . . 7.21 111.771 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.725 -0.655 . . . . 9.6300000000000008 110.527 179.76 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.062 -0.348 . . . . 7.5 110.062 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.671 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 25.2 mtmt -109.77 -54.72 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 111.859 0.318 . . . . 4.8700000000000001 111.859 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.671 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 23.0 Cg_exo -65.51 126.51 16.31 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.821 1.681 . . . . 1.49 111.647 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.698 HG21 ' O ' ' B' ' 45' ' ' LEU . 16.1 t -77.7 142.32 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.78000000000000003 110.69 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.565 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 17.4 p -106.04 172.84 6.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.156 -0.474 . . . . 0.5 110.694 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.745 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -78.95 -10.26 59.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.803 -1.184 . . . . 0.65000000000000002 107.803 179.147 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.765 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 20.5 m-85 -78.68 -33.89 46.61 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 113.857 -1.519 . . . . 1.27 109.629 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -69.34 -39.4 78.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 1.3100000000000001 110.415 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.589 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.9 t -61.32 -42.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.379 -0.828 . . . . 0.28000000000000003 110.853 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -63.36 -46.42 86.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.37 111.68 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.97 -41.35 87.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.763 -0.653 . . . . 2.3399999999999999 112.029 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.509 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.6 t80 -77.02 -37.66 54.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 1.5800000000000001 111.461 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.691 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -71.44 -27.32 63.19 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.005 0.372 . . . . 0.64000000000000001 112.005 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.9 20.32 47.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.6 -0.809 . . . . 0.58999999999999997 112.278 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -118.2 169.84 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.748 -0.464 . . . . 0.5 109.748 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -70.96 152.4 43.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.496 -0.927 . . . . 0.64000000000000001 108.496 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.573 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.51 -20.7 63.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 1.49 110.254 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.466 ' OE1' ' N6 ' ' C' ' 16' ' ' ' DA' . 0.0 OUTLIER -76.49 -24.74 53.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.96999999999999997 110.126 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -66.14 -27.72 68.25 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.053 -0.721 . . . . 0.54000000000000004 109.053 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' B' ' 38' ' ' VAL . 2.9 t -75.22 -45.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.016 -0.993 . . . . 0.44 108.598 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.658 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 19.9 m -46.98 -36.74 8.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.901 0.48 . . . . 1.29 111.217 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 25.7 mmt180 -59.31 -60.1 4.4 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.253 -0.43 . . . . 2.6600000000000001 110.664 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.05 -34.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.675 -0.693 . . . . 0.73999999999999999 111.141 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG21 HD12 ' B' ' 6' ' ' LEU . 25.0 t -67.83 -33.68 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.89000000000000001 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -73.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.178 0.514 . . . . 1.6799999999999999 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -168.27 44.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.293 -0.867 . . . . 4.0300000000000002 109.517 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.03 -130.63 0.64 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.816 -0.809 . . . . 2.1499999999999999 108.816 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.429 ' O ' HG22 ' B' ' 30' ' ' VAL . 12.0 m 67.31 148.28 0.05 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.331 0.586 . . . . 1.98 111.806 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.72 ' HB3' ' H71' ' D' ' 5' ' ' ' DT' . 0.7 OUTLIER 55.36 35.6 25.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.726 -0.67 . . . . 1.3100000000000001 111.454 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -136.96 134.39 48.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.266 -0.642 . . . . 1.22 109.266 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 35.74 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.089 0.403 . . . . 1.4199999999999999 112.089 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 69.27 -53.66 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.72 0.808 . . . . 1.0700000000000001 111.646 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -55.89 -48.05 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.811 -0.632 . . . . 3.2999999999999998 111.022 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.56 91.52 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.398 -0.364 . . . . 0.79000000000000004 111.051 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -61.82 -49.87 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 3.21 110.512 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.82 -32.39 73.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.7 -0.682 . . . . 2.0899999999999999 110.679 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.691 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 1.0 OUTLIER -67.33 -46.52 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.675 -0.491 . . . . 1.6599999999999999 109.675 179.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' B' ' 42' ' ' MET . 69.1 t -66.35 -47.14 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.624 . . . . 0.42999999999999999 110.444 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.12 -46.03 75.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.877 -0.601 . . . . 1.79 111.053 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.76 78.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.405 -0.361 . . . . 0.69999999999999996 111.519 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.94 -31.56 72.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.459 -0.337 . . . . 0.46999999999999997 111.297 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 54.6 mtt -57.87 -31.49 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.52000000000000002 110.361 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.37 -34.08 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.62 110.947 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -63.14 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.358 0.599 . . . . 1.55 110.481 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.6 OUTLIER -91.28 2.98 55.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.52 -0.764 . . . . 0.98999999999999999 111.209 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.482 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.2 p-10 46.65 48.9 14.23 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.15 0.976 . . . . 1.77 109.326 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.685 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.5 t80 -49.97 118.44 2.9 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.929 -1.487 . . . . 1.3300000000000001 113.423 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.517 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 29.0 mt -120.25 94.89 48.96 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 107.472 -1.307 . . . . 1.28 107.472 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -35.84 127.07 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.419 3.413 . . . . 0.82999999999999996 114.753 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.513 HD21 HG22 ' B' ' 5' ' ' THR . 1.9 m120 -52.76 99.54 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-N 115.51 -0.768 . . . . 1.6399999999999999 110.591 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.89 -40.5 84.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.7 0.259 . . . . 4.7599999999999998 111.7 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 64.0 m -77.07 -53.34 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.751 0.649 . . . . 0.69999999999999996 112.751 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.582 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -69.7 -39.09 77.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.62 0.97 . . . . 0.54000000000000004 113.62 -178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.897 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 29.6 mt-30 -69.96 -47.27 62.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.947 0.351 . . . . 1.49 111.947 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.29 -38.0 76.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.492 0.663 . . . . 2.52 109.629 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 1.035 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.6 tp -66.46 -70.54 0.24 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.668 -1.151 . . . . 0.57999999999999996 110.569 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.801 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -50.93 -48.61 60.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.02 113.341 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.25 67.47 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 119.805 -1.188 . . . . 2.1299999999999999 113.196 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.897 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 20.1 pttp -73.46 -10.82 60.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.147 0.499 . . . . 5.0700000000000003 110.697 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -75.72 -7.96 55.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.687 -0.688 . . . . 7.3399999999999999 110.935 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.3 m -77.59 97.62 5.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 6.96 110.617 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.435 -0.793 . . . . 7.96 110.456 -179.601 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.42 ' C6 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C1'-C2' 107.147 0.951 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 ' C6 ' ' C6 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 C4'-C3'-C2' 102.304 -0.896 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.441 " C2'" ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C1'-C2' 107.184 0.986 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.748 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 N19-C1'-C2' 115.712 0.945 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.587 " H1'" " O5'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.977 0 C2'-C3'-O3' 115.903 1.964 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.587 " O5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 P-O3'-C3' 121.052 1.127 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.503 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.445 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.015 0.832 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.445 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.639 1.049 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.421 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.179 0.981 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.48 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C5'-C4'-C3' 115.985 0.857 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.668 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.447 1.209 0 C2'-C3'-O3' 115.62 1.859 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.801 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-N19 109.321 1.901 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.745 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.341 0 C5'-C4'-C3' 118.465 2.51 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.658 ' OP2' ' HB3' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 P-O3'-C3' 121.305 1.337 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.476 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.143 0.948 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-N19 108.674 1.093 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.068 0.88 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.44 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C4'-C3'-C2' 102.31 -0.89 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.488 " C2'" ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.324 -0.876 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.488 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 102.388 -0.812 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.451 ' H71' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 N19-C1'-C2' 115.885 1.053 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.522 0 O4'-C1'-C2' 106.956 0.779 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 102.28 -0.92 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.508 " H2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 O4'-C1'-C2' 107.134 0.94 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.508 ' H71' " H2'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 N19-C1'-C2' 116.495 1.434 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.72 ' H71' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 116.27 1.294 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.621 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.692 1.115 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.621 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.437 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.013 0.83 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C2'-C3'-O3' 113.999 1.259 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.502 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 P-O3'-C3' 120.665 0.804 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.773 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.51 -0.801 0 C4'-C3'-O3' 113.391 1.405 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 1.035 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 N19-C1'-C2' 116.587 1.492 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.6 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-N19 109.887 2.609 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.447 " H1'" " H5'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C4'-C3'-C2' 102.222 -0.978 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.447 " H5'" " H1'" ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 102.235 -0.965 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.456 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C4'-C3'-C2' 102.208 -0.992 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.957 0.779 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C4'-C3'-C2' 102.329 -0.871 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.507 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.03 0.846 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.507 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.1 0.909 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.439 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 102.369 -0.831 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 N19-C1'-C2' 115.593 0.87 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ttt . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 121.026 0.441 . . . . 6.4100000000000001 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 53.66 71.74 1.31 Allowed Pre-proline 0 N--CA 1.465 0.303 0 CA-C-N 115.646 -0.706 . . . . 4.7300000000000004 111.038 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -55.83 121.21 9.57 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.95 2.434 . . . . 1.3 113.038 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 88.0 t -74.72 144.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.442 -0.799 . . . . 0.54000000000000004 109.222 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.74 165.91 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.735 0.302 . . . . 0.40999999999999998 110.641 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -63.66 -18.08 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.991 -0.55 . . . . 0.28999999999999998 110.987 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.99 -34.78 62.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.526 . . . . 0.48999999999999999 109.578 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -69.91 -38.79 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 1.75 109.553 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.03 -46.77 78.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.22 110.053 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.93 87.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.744 -0.662 . . . . 0.29999999999999999 110.727 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.23 -38.67 82.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.807 -0.633 . . . . 2.21 111.111 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.428 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 26.8 t80 -73.86 -35.62 64.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 1.49 111.261 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.74 -18.46 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.46000000000000002 111.549 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.14 27.7 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.069 -0.812 . . . . 0.52000000000000002 111.069 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.4 m -124.63 -166.52 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.098 -0.551 . . . . 0.35999999999999999 109.932 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.513 ' HB2' ' C7 ' ' C' ' 7' ' ' ' DT' . 54.6 p -106.1 154.48 20.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.582 -0.525 . . . . 1.26 109.582 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.6 p90 -60.41 -28.82 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.306 0.574 . . . . 1.3200000000000001 110.08 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' NE ' ' A' ' 22' ' ' ARG . 55.7 tp60 -68.09 -36.2 79.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.519 -0.764 . . . . 1.0900000000000001 109.347 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.4 m -67.1 -43.46 82.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.892 -0.595 . . . . 0.48999999999999999 109.622 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.9 t -57.57 -51.15 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.25 110.853 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 m -61.29 -29.7 70.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.823 0.344 . . . . 0.87 111.422 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 68.3 mtt180 -70.72 -23.9 62.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 2.0299999999999998 110.882 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG13 ' HG3' ' A' ' 35' ' ' ARG . 66.0 t -90.63 -46.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.188 0.518 . . . . 0.44 110.497 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' VAL . 56.4 t -60.84 -49.82 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.138 -0.937 . . . . 0.40999999999999998 111.925 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -96.93 0.13 48.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.574 0.583 . . . . 1.72 112.574 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 57.79 76.13 0.34 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.229 0.538 . . . . 4.8799999999999999 110.548 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -113.41 25.04 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 2.27 111.317 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.3 t 59.26 -166.09 0.18 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.744 -0.662 . . . . 1.52 111.091 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.845 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.6 m170 61.01 27.75 17.6 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.129 0.418 . . . . 0.76000000000000001 112.129 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 23' ' ' VAL . 3.2 t -132.98 140.55 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 1.1599999999999999 110.586 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -100.73 169.09 9.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.3 109.689 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -62.67 -36.78 84.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.852 0.358 . . . . 1.0600000000000001 111.09 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 40.3 mttt -56.57 -50.03 73.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 3.3900000000000001 111.706 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -78.6 -32.53 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.049 -0.523 . . . . 0.65000000000000002 112.382 -178.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.661 ' HG3' HG13 ' A' ' 23' ' ' VAL . 43.7 ttp180 -63.78 -45.98 87.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 3.3100000000000001 111.167 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 89.4 mt-10 -67.42 -26.01 66.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.745 0.646 . . . . 1.45 112.745 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.5 ptpt -85.08 -29.39 24.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.479 -0.488 . . . . 0.97999999999999998 110.379 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 34' ' ' THR . 53.7 t -72.85 -45.09 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.75 -0.463 . . . . 0.35999999999999999 109.75 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 42.4 mt-10 -68.07 -23.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 1.5900000000000001 109.834 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.77 -43.19 22.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.52000000000000002 110.195 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -67.78 -38.12 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.37 111.141 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.74 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 19.3 ptp -72.42 -11.1 60.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.933 0.397 . . . . 0.39000000000000001 110.808 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.68 -26.56 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.53000000000000003 109.937 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.0 mm-40 -71.27 -63.38 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.74 0.781 . . . . 1.3600000000000001 110.66 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -74.8 -10.88 59.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.523 -1.217 . . . . 1.8799999999999999 111.772 -178.243 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 67.0 65.92 0.43 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.605 0.717 . . . . 2.0099999999999998 109.652 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.7 t80 -73.49 134.31 43.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.83 -1.077 . . . . 1.1599999999999999 111.532 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -115.63 104.95 52.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.642 . . . . 1.1599999999999999 110.188 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -58.23 130.98 40.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.759 2.306 . . . . 0.55000000000000004 111.498 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 46.2 m-80 -92.32 113.83 26.21 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.296 0.48 . . . . 0.54000000000000004 112.296 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -21.58 52.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.648 -0.705 . . . . 5.04 109.57 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -56.63 4.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -58.18 -28.62 64.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.45000000000000001 110.213 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' HB2' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -65.64 -38.73 90.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 1.21 109.665 178.405 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 92.1 mt-30 -72.16 -33.34 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 2.0099999999999998 110.837 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 13.7 tp -77.22 -49.86 14.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 111.125 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.48999999999999999 111.948 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.67 6.33 80.87 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.505 -0.855 . . . . 1.1399999999999999 112.66 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 3.0 tppp? -92.44 82.22 4.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.154 0.502 . . . . 6.3499999999999996 111.086 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -93.38 30.57 1.68 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.099 -0.501 . . . . 6.5 110.236 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -95.88 102.94 14.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.617 -0.719 . . . . 7.21 109.895 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 62' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.41 -0.805 . . . . 9.6300000000000008 110.28 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.568 ' HG3' ' HG2' ' B' ' 2' ' ' LYS . 24.8 ptt? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.447 0.165 . . . . 7.5 111.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.568 ' HG2' ' HG3' ' B' ' 1' ' ' MET . 13.2 pttp -160.36 114.07 1.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.13 0.491 . . . . 4.8700000000000001 110.778 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -72.52 151.28 52.86 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.611 2.207 . . . . 1.49 111.357 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.843 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 86.9 t -102.03 137.07 31.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.702 -0.481 . . . . 0.78000000000000003 109.702 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OD1' ' B' ' 50' ' ' ASN . 7.0 p -90.77 163.07 14.6 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.257 -0.429 . . . . 0.5 110.628 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.729 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.1 OUTLIER -76.99 -7.02 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.588 -1.264 . . . . 0.65000000000000002 107.588 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.754 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 27.1 m-85 -80.18 -42.03 24.15 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.864 -1.516 . . . . 1.27 109.263 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.17 -36.86 85.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.448 -0.797 . . . . 1.3100000000000001 109.96 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.533 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.1 t -61.45 -43.15 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.26 -0.882 . . . . 0.28000000000000003 110.248 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.62 -42.67 86.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.419 -0.809 . . . . 0.37 111.787 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.777 -0.647 . . . . 2.3399999999999999 111.124 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' B' ' 44' ' ' GLU . 67.6 t80 -72.22 -42.88 65.21 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 1.5800000000000001 111.139 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -67.74 -18.92 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.64000000000000001 112.564 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.58 27.7 60.73 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.963 -0.636 . . . . 0.58999999999999997 111.982 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.461 HG11 HG22 ' B' ' 34' ' ' THR . 35.5 m -125.25 175.47 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 122.752 0.421 . . . . 0.5 109.923 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.3 p -75.22 154.72 37.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.412 -0.958 . . . . 0.64000000000000001 108.412 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -61.54 -22.11 64.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.497 . . . . 1.49 110.743 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' B' ' 21' ' ' SER . 4.2 tt0 -81.33 -17.26 49.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.189 -0.46 . . . . 0.96999999999999997 111.024 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -66.88 -31.23 71.69 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.987 -1.116 . . . . 0.54000000000000004 107.987 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.483 HG13 ' CG1' ' B' ' 38' ' ' VAL . 15.7 t -73.99 -39.18 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.256 -1.338 . . . . 0.44 108.792 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 31.3 t -53.21 -33.0 50.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 115.205 -0.907 . . . . 1.29 111.056 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 33.6 mmt180 -63.66 -56.26 17.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 2.6600000000000001 110.604 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.75 -27.93 41.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.012 -0.54 . . . . 0.73999999999999999 111.28 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 6' ' ' LEU . 5.4 t -73.49 -33.42 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.89000000000000001 111.03 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -80.24 -78.66 0.16 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.247 0.546 . . . . 1.6799999999999999 111.75 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -162.03 50.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.439 -0.801 . . . . 4.0300000000000002 109.719 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.09 -126.58 1.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 2.1499999999999999 110.126 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.0 p 63.52 128.32 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.897 0.879 . . . . 1.98 112.576 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.557 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER 58.01 33.95 23.73 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.282 -0.872 . . . . 1.3100000000000001 112.03 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.68 97.54 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 120.716 0.293 . . . . 1.22 110.265 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.45 152.88 28.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.906 -0.588 . . . . 1.4199999999999999 110.013 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.55 -48.97 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.49 0.552 . . . . 1.0700000000000001 112.49 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.598 ' HG3' ' HE2' ' B' ' 37' ' ' LYS . 4.4 tppp? -54.51 -55.12 32.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 3.2999999999999998 112.022 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.461 HG22 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -67.4 -41.1 85.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.279 0.474 . . . . 0.79000000000000004 112.279 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -61.25 -44.17 97.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 3.21 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -64.29 -33.59 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 2.0899999999999999 110.818 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.598 ' HE2' ' HG3' ' B' ' 33' ' ' LYS . 67.9 mttm -63.5 -45.5 90.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.253 0.549 . . . . 1.6599999999999999 109.559 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.483 ' CG1' HG13 ' B' ' 20' ' ' VAL . 66.9 t -66.08 -49.62 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.42999999999999999 111.239 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.26 -38.02 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.357 -0.383 . . . . 1.79 110.994 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.25 84.4 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.923 -0.399 . . . . 0.69999999999999996 109.923 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.49 79.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.78 -0.645 . . . . 0.46999999999999997 110.568 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 56.5 mtt -60.0 -23.56 63.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.52000000000000002 110.219 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.43 -35.1 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.62 111.174 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' B' ' 12' ' ' TYR . 23.7 mm-40 -65.42 -51.33 61.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.223 0.535 . . . . 1.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -82.86 -14.06 54.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.723 -0.671 . . . . 0.98999999999999999 109.881 179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.49 ' O ' HG13 ' B' ' 48' ' ' ILE . 3.5 t30 61.29 63.07 1.26 Allowed 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.573 -1.269 . . . . 1.77 107.573 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.1 t80 -49.36 113.34 0.79 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.099 -1.41 . . . . 1.3300000000000001 113.221 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.843 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 34.7 mt -121.44 90.53 47.84 Favored Pre-proline 0 N--CA 1.449 -0.494 0 N-CA-C 107.285 -1.376 . . . . 1.28 107.285 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -36.6 125.23 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 124.169 3.246 . . . . 0.82999999999999996 113.814 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 1.2 m120 -47.37 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.347 1.029 . . . . 1.6399999999999999 110.204 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.501 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 9.8 tpt180 -58.05 -24.71 59.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.763 0.316 . . . . 4.7599999999999998 111.705 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.56 -64.27 1.18 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.948 0.404 . . . . 0.69999999999999996 111.182 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.545 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -61.32 -36.56 80.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.575 0.583 . . . . 0.54000000000000004 112.575 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 1.003 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 13.5 mm-40 -74.11 -34.32 63.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.948 -0.301 . . . . 1.49 111.25 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.74 -40.17 88.22 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.771 -0.826 . . . . 2.52 108.771 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.998 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -66.44 -64.77 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.622 -1.172 . . . . 0.57999999999999996 110.524 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.691 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -59.44 -42.47 91.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.231 0.826 . . . . 1.02 113.231 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.39 77.01 0.52 Allowed Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.736 -0.745 . . . . 2.1299999999999999 112.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 1.003 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 3.7 ptmt -67.99 153.93 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.512 0.673 . . . . 5.0700000000000003 112.217 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -149.54 112.43 4.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.263 -0.88 . . . . 7.3399999999999999 109.876 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 30.9 m -122.42 162.56 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.61 -0.268 . . . . 6.96 110.808 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.515 -0.755 . . . . 7.96 110.023 179.364 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.538 HO5' ' H8 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.494 0 O4'-C1'-C2' 107.142 0.948 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.443 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 102.276 -0.924 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.733 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-O3' 108.01 -1.041 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.776 ' C6 ' ' H72' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.15 0.954 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.845 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 N19-C1'-C2' 116.242 1.276 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.504 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-N19 108.542 0.927 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.513 ' C7 ' ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C4'-C3'-C2' 102.381 -0.819 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.454 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 107.068 0.88 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-N19 108.828 1.284 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.476 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-N19 108.7 1.126 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.462 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.89 0.719 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.575 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.447 1.239 0 C2'-C3'-O3' 115.174 1.694 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.754 " C2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 110.338 3.173 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.729 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.417 -1.432 0 C5'-C4'-C3' 118.365 2.443 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 107.062 0.875 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.471 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 107.27 1.064 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.471 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.008 0.826 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C5'-C4'-C3' 116.012 0.875 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.47 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C4'-C3'-C2' 102.313 -0.887 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.47 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C4'-C3'-C2' 102.415 -0.785 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.444 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C4'-C3'-C2' 102.409 -0.791 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 115.786 0.991 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.294 -0.906 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.378 -0.822 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.211 1.01 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.557 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 N19-C1'-C2' 116.179 1.237 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.464 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.631 0 N19-C1'-C2' 116.621 1.513 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.537 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C4'-C3'-C2' 102.355 -0.845 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.537 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 106.975 0.795 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C4'-C3'-C2' 102.353 -0.847 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C5'-C4'-C3' 115.972 0.848 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.454 " H1'" " H5'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.085 0.895 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O4'-C1'-C2' 107.142 0.947 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.802 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-O3' 113.494 1.452 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.998 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 109.12 1.65 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.635 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 110.024 2.78 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.483 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.035 0 O4'-C1'-N19 108.538 0.922 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.294 -0.906 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.967 0.788 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.402 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.271 -0.929 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.545 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 102.383 -0.817 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.545 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.097 0.907 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.42 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.429 -0.771 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.968 0.789 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.723 0.297 . . . . 6.4100000000000001 110.525 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -76.0 149.52 82.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 4.7300000000000004 110.112 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.77 111.11 1.43 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.443 2.095 . . . . 1.3 112.377 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' A' ' 45' ' ' LEU . 79.7 t -94.83 136.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.72 . . . . 0.54000000000000004 109.415 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 170.23 8.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.185 -0.461 . . . . 0.40999999999999998 111.341 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -66.82 -16.6 64.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.28999999999999998 110.555 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -74.55 -39.68 62.15 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.864 -0.607 . . . . 0.48999999999999999 109.603 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.05 -38.08 85.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.392 -0.822 . . . . 1.75 110.201 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.51 ' HA ' HD11 ' A' ' 45' ' ' LEU . 40.6 t -68.14 -40.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.743 -0.662 . . . . 0.22 109.744 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.85 81.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.16 -0.927 . . . . 0.29999999999999999 110.521 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.72 -29.0 63.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 2.21 111.097 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 4.0 t80 -76.58 -39.32 52.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 1.49 110.701 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.11 30.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.942 0.401 . . . . 0.46000000000000002 111.491 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.58 11.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.681 -0.968 . . . . 0.52000000000000002 110.681 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 34' ' ' THR . 26.8 m -132.37 -166.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.264 -0.468 . . . . 0.35999999999999999 110.031 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 41.8 p -100.55 158.61 15.79 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.1 -0.704 . . . . 1.26 109.1 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.895 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 38.0 p90 -66.05 -27.76 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.594 -0.521 . . . . 1.3200000000000001 109.594 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.44 -35.34 79.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.877 -0.786 . . . . 1.0900000000000001 108.877 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.2 m -65.81 -44.24 86.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.139 -0.689 . . . . 0.48999999999999999 109.139 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HA ' HG11 ' A' ' 38' ' ' VAL . 74.1 t -58.64 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.082 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -62.68 -31.82 72.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.803 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 30' ' ' VAL . 6.6 tpp180 -64.02 -36.15 83.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.584 . . . . 2.0299999999999998 110.021 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 54.8 t -80.34 -46.45 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.197 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.6 t -58.86 -41.29 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.40999999999999998 111.744 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -78.95 -20.36 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.326 0.491 . . . . 1.72 112.326 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 61.59 42.89 10.57 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.319 0.581 . . . . 4.8799999999999999 110.269 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.9 -144.19 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 2.27 111.497 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 0.7 OUTLIER -95.26 174.12 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.397 -0.365 . . . . 1.52 110.237 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CG ' ' H73' ' C' ' 4' ' ' ' DT' . 0.2 OUTLIER 61.21 36.46 17.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.425 0.69 . . . . 0.76000000000000001 111.745 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -118.58 110.97 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.53 -0.468 . . . . 1.1599999999999999 110.944 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 87.2 p -82.35 159.83 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 1.3 110.212 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.27 66.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 1.0600000000000001 111.373 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 20.6 mmtp -62.91 -56.16 19.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 3.3900000000000001 111.293 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.809 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -73.91 -29.73 62.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.95 -0.568 . . . . 0.65000000000000002 112.056 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.0 ttt180 -58.47 -36.74 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.157 0.503 . . . . 3.3100000000000001 111.079 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.65 -35.51 22.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.597 . . . . 1.45 112.493 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.809 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 15.7 ptpt -75.43 -32.01 60.55 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.871 -0.332 . . . . 0.97999999999999998 111.675 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 20' ' ' VAL . 77.1 t -74.11 -44.55 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.35999999999999999 110.338 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 1.3 mt-10 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 1.5900000000000001 110.441 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.99 -32.27 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.521 . . . . 0.52000000000000002 110.757 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -75.91 -42.73 48.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.953 -0.567 . . . . 0.37 111.027 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.629 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.2 ptp -65.51 -12.82 56.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.39000000000000001 111.673 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.36 23.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.419 . . . . 0.53000000000000003 110.677 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.51 -58.76 2.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.867 -0.606 . . . . 1.3600000000000001 111.694 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -80.8 -2.38 46.94 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.853 -0.612 . . . . 1.8799999999999999 112.604 -178.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 66.02 69.48 0.44 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.214 0.531 . . . . 2.0099999999999998 111.098 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.1 t80 -65.92 133.76 51.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.229 -0.896 . . . . 1.1599999999999999 111.015 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.464 HG12 ' H ' ' A' ' 4' ' ' VAL . 23.6 mm -108.72 100.42 38.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 1.1599999999999999 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.24 130.55 22.88 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.558 2.172 . . . . 0.55000000000000004 110.414 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -106.91 113.72 27.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.37 . . . . 0.54000000000000004 111.997 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 7.6 ppt_? -78.17 -22.72 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 5.04 109.823 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 1.1 m -69.82 -43.23 72.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.463 -0.569 . . . . 0.82999999999999996 109.463 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -69.41 -30.06 67.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.02 -0.991 . . . . 0.45000000000000001 109.602 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -68.02 -42.46 80.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 1.21 109.741 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.7 mt-30 -65.94 -32.66 74.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 2.0099999999999998 109.94 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 11.6 tp -75.33 -52.91 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.51000000000000001 110.718 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.59 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.48999999999999999 111.278 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.64 6.48 83.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.095 -0.574 . . . . 1.1399999999999999 111.808 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HD2' " H4'" ' C' ' 11' ' ' ' DC' . 10.7 ptmt 34.22 -104.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.916 1.286 . . . . 6.3499999999999996 113.398 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -110.45 158.88 18.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 6.5 111.102 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m 66.67 -95.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.554 -0.748 . . . . 7.21 111.321 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.011 -0.995 . . . . 9.6300000000000008 109.68 -179.73 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.372 -0.233 . . . . 7.5 110.372 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.77 76.6 0.43 Allowed Pre-proline 0 C--O 1.233 0.199 0 O-C-N 123.704 0.628 . . . . 4.8700000000000001 111.349 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.85 65.14 4.03 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.715 2.277 . . . . 1.49 111.205 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.773 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.5 t -66.12 134.28 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.26 -0.882 . . . . 0.78000000000000003 111.39 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.626 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 32.1 p -100.49 -176.66 3.27 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.643 -0.708 . . . . 0.5 110.46 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.706 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -81.1 -9.01 59.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.801 -1.185 . . . . 0.65000000000000002 107.801 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.738 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 14.9 m-85 -81.32 -35.3 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 113.8 -1.546 . . . . 1.27 109.933 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.66 ' HB2' HG13 ' B' ' 4' ' ' VAL . 14.5 m-20 -70.9 -39.68 72.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.618 -0.719 . . . . 1.3100000000000001 111.103 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.559 ' HA ' HD23 ' B' ' 45' ' ' LEU . 44.6 t -57.91 -38.37 65.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.369 0.604 . . . . 0.28000000000000003 110.365 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.59 -44.51 81.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.214 -0.903 . . . . 0.37 111.223 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -56.9 -47.29 80.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.84 . . . . 2.3399999999999999 111.818 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.689 ' HB3' HD21 ' B' ' 45' ' ' LEU . 78.1 t80 -69.86 -42.12 73.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 1.5800000000000001 111.764 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.2 -21.04 63.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.379 -0.373 . . . . 0.64000000000000001 111.247 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.59 22.9 52.47 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.822 -0.704 . . . . 0.58999999999999997 112.224 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.02 174.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.579 -0.526 . . . . 0.5 109.579 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.6 p -78.43 153.43 31.49 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.691 -0.855 . . . . 0.64000000000000001 108.691 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.565 ' HD2' HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -58.66 -28.53 65.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.195 0.521 . . . . 1.49 109.758 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' H71' ' C' ' 15' ' ' ' DT' . 0.0 OUTLIER -65.84 -30.03 70.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.96999999999999997 110.429 179.405 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' B' ' 23' ' ' VAL . 18.7 m -61.9 -40.08 94.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.04 -0.726 . . . . 0.54000000000000004 109.04 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' B' ' 38' ' ' VAL . 13.9 t -69.46 -45.66 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.317 -0.856 . . . . 0.44 109.115 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.619 ' HB3' ' OP2' ' C' ' 15' ' ' ' DT' . 33.2 m -54.56 -33.87 60.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.137 0.494 . . . . 1.29 110.788 177.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 4.8 mtt85 -79.76 -42.57 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 111.238 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 19' ' ' THR . 60.5 t -58.3 -33.43 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.73999999999999999 110.517 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 20' ' ' VAL . 43.1 t -85.42 -32.35 7.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.89000000000000001 112.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.457 ' OD1' ' HE2' ' B' ' 59' ' ' LYS . 33.3 m-80 -122.51 -68.73 0.87 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.457 0.91 . . . . 1.6799999999999999 113.457 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -83.5 78.7 9.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.395 . . . . 4.0300000000000002 111.376 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.27 -23.76 38.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 2.1499999999999999 112.138 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 m -69.68 154.03 42.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.565 -0.288 . . . . 1.98 110.255 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.608 ' CG ' ' H73' ' D' ' 4' ' ' ' DT' . 0.1 OUTLIER 60.37 33.57 20.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.921 0.488 . . . . 1.3100000000000001 110.514 -178.098 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.403 HG11 HG22 ' B' ' 23' ' ' VAL . 47.0 t -135.7 111.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.963 0.411 . . . . 1.22 110.719 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.81 152.68 44.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.674 -0.694 . . . . 1.4199999999999999 110.582 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.42 73.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.495 -0.32 . . . . 1.0700000000000001 111.559 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.17 -54.0 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.533 -0.303 . . . . 3.2999999999999998 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -67.62 -34.83 77.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.61 0.243 . . . . 0.79000000000000004 111.445 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.3 ttp180 -63.02 -51.53 66.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.065 0.459 . . . . 3.21 110.287 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -68.41 -32.37 72.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.587 -0.733 . . . . 2.0899999999999999 111.317 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' B' ' 37' ' ' LYS . 23.4 ttmm -64.55 -43.12 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.6599999999999999 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' B' ' 20' ' ' VAL . 46.1 t -66.46 -47.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.42999999999999999 110.649 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.89 -34.58 76.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 1.79 111.089 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.8 60.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.96 0.409 . . . . 0.69999999999999996 110.548 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.83 70.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.946 -0.57 . . . . 0.46999999999999997 111.119 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 68.7 mtt -59.06 -28.33 66.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.52000000000000002 110.366 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.74 -14.85 36.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.62 111.673 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.8 -47.22 8.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.03 0.443 . . . . 1.55 110.495 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -79.12 -24.51 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.626 . . . . 0.98999999999999999 111.029 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 42.5 t30 76.78 57.32 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 106.812 -1.551 . . . . 1.77 106.812 -176.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.773 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -56.62 114.83 2.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.097 -1.411 . . . . 1.3300000000000001 112.548 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -113.01 94.17 28.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 107.742 -1.207 . . . . 1.28 107.742 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -33.52 118.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.205 3.27 . . . . 0.82999999999999996 114.341 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.46 ' ND2' H5'' ' C' ' 13' ' ' ' DG' . 17.1 t-20 -73.68 64.76 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.574 -0.739 . . . . 1.6399999999999999 109.374 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.452 HH11 ' HD3' ' B' ' 51' ' ' ARG . 13.5 mtm180 -50.7 -33.01 21.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.811 -1.086 . . . . 4.7599999999999998 112.979 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 86.3 m -58.37 -53.73 54.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.957 0.408 . . . . 0.69999999999999996 110.86 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.51 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -81.8 -25.19 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.869 -0.605 . . . . 0.54000000000000004 111.318 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.544 ' HB3' ' HB3' ' B' ' 59' ' ' LYS . 80.3 mt-30 -71.47 -54.52 10.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.488 -0.324 . . . . 1.49 111.419 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.53 -35.51 70.39 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.983 -0.747 . . . . 2.52 108.983 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.97 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 13.7 tp -64.22 -69.64 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.319 -1.309 . . . . 0.57999999999999996 111.002 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.811 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -48.39 -44.55 34.89 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 124.37 1.044 . . . . 1.02 113.339 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.18 27.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 119.469 -1.348 . . . . 2.1299999999999999 113.801 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.544 ' HB3' ' HB3' ' B' ' 54' ' ' GLN . 25.5 tptp -103.16 110.41 22.35 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.358 -0.608 . . . . 5.0700000000000003 109.358 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.99 138.06 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.699 -0.682 . . . . 7.3399999999999999 111.078 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.61 -27.24 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.709 -0.678 . . . . 6.96 110.124 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.649 -0.691 . . . . 7.96 109.525 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 O4'-C1'-C2' 107.005 0.823 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.48 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 102.294 -0.906 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.736 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.53 0.667 0 O4'-C1'-C2' 107.176 0.979 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.736 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 N19-C1'-C2' 115.986 1.117 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.494 " H5'" " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 N19-C1'-C2' 115.865 1.041 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.459 ' C8 ' ' H72' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C4'-C3'-C2' 102.408 -0.792 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.459 ' H72' ' C8 ' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 102.287 -0.913 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C4'-C3'-C2' 102.252 -0.948 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.42 " H1'" " H5'" ' C' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.02 0.836 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.434 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.594 " H4'" ' HD2' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.445 -0.755 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.621 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.445 1.113 0 C2'-C3'-O3' 115.786 1.921 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.811 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C1'-N19 109.346 1.933 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.706 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.189 0 C5'-C4'-C3' 118.35 2.433 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.619 ' OP2' ' HB3' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.432 -0.512 0 P-O3'-C3' 121.082 1.152 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.498 ' N7 ' ' C2 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C4'-C3'-C2' 102.191 -1.009 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.49 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 107.205 1.005 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 104.865 -0.735 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.109 0.918 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.532 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C4'-C3'-C2' 102.391 -0.809 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.532 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 102.355 -0.845 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.497 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 115.532 0.832 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.421 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 N19-C1'-C2' 115.701 0.938 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.569 HO5' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 O5'-C5'-C4' 111.417 0.869 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C4'-C3'-C2' 102.165 -1.035 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.664 ' C8 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 106.982 0.802 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.664 ' H72' ' C8 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 N19-C1'-C2' 116.093 1.183 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.487 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 N19-C1'-C2' 116.421 1.388 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.565 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.602 1.003 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.565 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 102.279 -0.921 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.461 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.583 0 O4'-C1'-C2' 107.149 0.953 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C2'-C3'-O3' 113.642 1.127 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 107.046 0.86 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.028 0.844 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.814 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-O3' 112.79 1.132 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.97 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 N19-C1'-C2' 116.633 1.52 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.613 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.409 2.011 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.59 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 O4'-C1'-N19 108.582 0.977 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.463 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 102.208 -0.992 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.479 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C4'-C3'-C2' 102.231 -0.969 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.568 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-N19 108.549 0.936 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.568 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 106.948 0.771 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.001 0.819 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 mtt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.167 -0.308 . . . . 6.4100000000000001 110.167 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -118.89 126.05 27.34 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.492 -0.322 . . . . 4.7300000000000004 110.411 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -69.77 107.31 1.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.394 2.062 . . . . 1.3 111.681 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.769 HG11 ' HG ' ' A' ' 45' ' ' LEU . 39.6 t -66.98 135.01 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.518 -0.764 . . . . 0.54000000000000004 109.244 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.406 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 0.1 OUTLIER -99.91 164.51 11.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.123 -0.49 . . . . 0.40999999999999998 111.229 -177.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.796 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -64.14 -16.74 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.622 -0.717 . . . . 0.28999999999999998 110.761 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.06 -33.59 59.58 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.212 -0.662 . . . . 0.48999999999999999 109.212 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.46 -39.92 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.753 . . . . 1.75 109.625 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.29 -40.1 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 0.22 109.707 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.72 84.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.451 -0.795 . . . . 0.29999999999999999 110.2 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -73.78 -28.61 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.436 -0.802 . . . . 2.21 110.493 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.553 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 3.2 t80 -79.6 -38.23 34.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.797 -0.638 . . . . 1.49 111.297 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.58 -14.84 36.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.479 -0.328 . . . . 0.46000000000000002 111.437 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.09 39.92 22.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.52000000000000002 111.252 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.9 m -134.23 -170.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.705 -0.479 . . . . 0.35999999999999999 109.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -97.59 156.54 16.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.774 -0.454 . . . . 1.26 109.774 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.0 p90 -58.27 -35.7 72.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.484 -0.325 . . . . 1.3200000000000001 110.81 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 14.3 tp60 -64.63 -33.56 76.23 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.384 -0.599 . . . . 1.0900000000000001 109.384 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.6 m -68.0 -43.29 79.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.683 -0.689 . . . . 0.48999999999999999 109.35 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.0 t -60.03 -53.87 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.171 -0.922 . . . . 0.25 110.048 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -61.51 -30.35 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.87 110.44 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.016 ' HG3' HG22 ' A' ' 30' ' ' VAL . 11.0 tpp180 -62.54 -38.06 88.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.103 -0.703 . . . . 2.0299999999999998 109.103 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG13 ' HG3' ' A' ' 35' ' ' ARG . 71.1 t -80.76 -40.75 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 91.1 t -59.26 -43.02 88.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.171 -0.468 . . . . 0.40999999999999998 111.047 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -73.49 -27.88 61.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.418 -0.356 . . . . 1.72 111.211 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 60.28 41.71 16.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.481 0.657 . . . . 4.8799999999999999 109.712 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.79 -144.49 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.161 -0.927 . . . . 2.27 111.224 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.4 m -83.94 171.86 12.62 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.677 0.275 . . . . 1.52 111.547 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.569 ' CG ' ' H73' ' C' ' 4' ' ' ' DT' . 1.2 m170 62.38 33.06 16.61 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.585 0.754 . . . . 0.76000000000000001 112.39 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.016 HG22 ' HG3' ' A' ' 22' ' ' ARG . 2.1 t -120.3 117.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.351 -0.54 . . . . 1.1599999999999999 111.42 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.579 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 55.0 p -87.84 150.75 23.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.072 -0.714 . . . . 1.3 109.072 178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.02 68.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.724 0.297 . . . . 1.0600000000000001 110.992 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.92 -52.39 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 3.3900000000000001 111.554 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.716 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.4 p -78.56 -29.34 46.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.65000000000000002 111.395 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.1 ttt-85 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.129 0.49 . . . . 3.3100000000000001 110.815 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.64 -22.05 51.29 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.216 0.821 . . . . 1.45 113.216 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.716 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 13.4 ptpt -91.69 -27.18 18.25 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.284 -0.566 . . . . 0.97999999999999998 110.899 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.5 t -77.63 -45.26 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.848 0.356 . . . . 0.35999999999999999 110.498 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 34.5 mt-10 -66.77 -25.1 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 1.5900000000000001 110.397 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.5 -30.7 33.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.447 . . . . 0.52000000000000002 110.612 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.562 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -77.11 -42.88 36.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.37 111.043 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 22.5 ptp -66.37 -11.8 53.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.059 -0.519 . . . . 0.39000000000000001 111.496 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.06 -15.73 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.424 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -85.51 -61.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.47 -0.786 . . . . 1.3600000000000001 111.337 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -77.8 3.57 13.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 1.8799999999999999 112.457 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.93 62.51 1.43 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.301 0.572 . . . . 2.0099999999999998 110.857 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.9 t80 -63.12 135.53 57.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.139 -0.937 . . . . 1.1599999999999999 111.143 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.64 105.92 56.72 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.651 -0.704 . . . . 1.1599999999999999 110.576 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.56 95.55 0.28 Allowed 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.463 2.109 . . . . 0.55000000000000004 110.34 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.76 107.97 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.54000000000000004 112.221 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -23.4 53.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.564 -0.744 . . . . 5.04 110.376 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.723 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -76.13 -39.04 56.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.575 . . . . 0.82999999999999996 110.208 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -67.64 -31.75 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.868 -0.605 . . . . 0.45000000000000001 109.38 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.74 -38.39 86.54 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.13 -0.941 . . . . 1.21 110.05 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 15.3 mm100 -67.25 -26.49 66.6 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.81 -0.632 . . . . 2.0099999999999998 110.696 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.647 HD21 ' N3 ' ' C' ' 12' ' ' ' DG' . 11.4 tp -86.51 -51.49 6.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.51000000000000001 111.016 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.0 71.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.407 0.623 . . . . 0.48999999999999999 110.712 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.22 26.55 22.32 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.659 -0.701 . . . . 1.1399999999999999 111.53 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 14.7 tptm -110.8 20.59 17.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.216 0.532 . . . . 6.3499999999999996 110.673 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.473 ' HG2' " C4'" ' C' ' 11' ' ' ' DC' . 76.1 mt-30 -76.95 98.5 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 6.5 110.227 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -132.94 148.35 52.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 7.21 110.857 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.117 -0.944 . . . . 9.6300000000000008 110.842 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.943 0.401 . . . . 7.5 110.295 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.486 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 17.7 ptpt -153.61 140.61 13.11 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 4.8700000000000001 109.972 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 3.5 Cg_exo -76.43 77.9 3.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.808 2.339 . . . . 1.49 111.138 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.697 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 56.3 t -57.03 141.04 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.496 -0.775 . . . . 0.78000000000000003 110.531 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.403 HG22 ' ND2' ' B' ' 50' ' ' ASN . 15.9 p -97.04 166.03 11.79 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.688 -0.687 . . . . 0.5 110.782 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.696 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.2 OUTLIER -77.98 -7.72 57.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.865 -1.161 . . . . 0.65000000000000002 107.865 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.671 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 15.7 m-85 -81.54 -39.51 24.55 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.972 -1.467 . . . . 1.27 110.056 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -64.04 -37.81 88.79 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.774 -0.648 . . . . 1.3100000000000001 110.078 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.569 ' HA ' HD23 ' B' ' 45' ' ' LEU . 58.6 t -61.76 -42.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.441 -0.8 . . . . 0.28000000000000003 110.559 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.561 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -66.12 -49.85 66.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 0.37 112.135 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 11.3 mm-40 -57.27 -43.28 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 2.3399999999999999 111.691 -178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.437 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.8 t80 -69.16 -42.07 76.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.5800000000000001 111.45 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -70.29 -25.09 63.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.488 -0.323 . . . . 0.64000000000000001 111.849 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.95 12.04 59.52 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.027 -0.606 . . . . 0.58999999999999997 112.171 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.11 170.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.553 0.216 . . . . 0.5 110.425 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.2 p -73.25 153.26 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.64000000000000001 108.81 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -61.79 -25.91 67.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.118 0.485 . . . . 1.49 110.513 -179.633 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.456 ' HB2' ' H71' ' D' ' 7' ' ' ' DT' . 11.0 mt-30 -73.82 -21.26 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.96999999999999997 110.52 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -65.08 -36.26 83.75 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 107.796 -1.187 . . . . 0.54000000000000004 107.796 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' CG1' ' B' ' 38' ' ' VAL . 9.6 t -72.55 -47.05 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 114.647 -1.16 . . . . 0.44 108.842 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -50.51 -41.99 54.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.836 -0.62 . . . . 1.29 111.139 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -68.9 -49.87 54.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 2.6600000000000001 111.302 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.79 -39.55 80.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.099 0.476 . . . . 0.73999999999999999 110.509 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' B' ' 61' ' ' SER . 6.5 t -64.54 -37.4 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.159 -0.928 . . . . 0.89000000000000001 111.146 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.443 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 12.1 m-80 -77.84 -79.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.94 0.4 . . . . 1.6799999999999999 111.745 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -152.79 43.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 4.0300000000000002 111.162 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 -120.64 1.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 2.1499999999999999 111.134 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m 67.68 133.62 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.655 0.597 . . . . 1.98 110.096 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.719 ' HB3' ' C7 ' ' D' ' 5' ' ' ' DT' . 1.1 m170 67.83 -61.07 0.38 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 122.62 0.368 . . . . 1.3100000000000001 110.534 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' OP2' ' D' ' 5' ' ' ' DT' . 4.2 t -54.89 113.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.42 . . . . 1.22 110.554 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 168.33 19.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.577 -0.738 . . . . 1.4199999999999999 111.117 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.11 -40.45 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.684 0.278 . . . . 1.0700000000000001 111.699 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -59.86 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 3.2999999999999998 111.179 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -28.69 55.36 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.505 -0.316 . . . . 0.79000000000000004 111.278 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.2 ttm180 -63.89 -54.96 26.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.167 -0.469 . . . . 3.21 110.566 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.34 -22.25 65.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.511 . . . . 2.0899999999999999 110.465 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.6 OUTLIER -66.69 -47.43 72.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.319 0.58 . . . . 1.6599999999999999 109.768 178.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' B' ' 20' ' ' VAL . 93.2 t -66.16 -46.21 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.779 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 24.7 mt-10 -61.25 -33.49 73.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.082 -0.508 . . . . 1.79 111.12 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.02 67.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.69999999999999996 110.049 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.09 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.895 -0.593 . . . . 0.46999999999999997 110.608 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.7 mtt -58.07 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.52000000000000002 110.261 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.72 21.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.987 -0.552 . . . . 0.62 111.112 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -51.9 63.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 1.55 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.5 OUTLIER -80.8 -12.32 59.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.184 -0.462 . . . . 0.98999999999999999 110.546 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.42 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.9 t-20 62.37 56.1 2.19 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 107.274 -1.38 . . . . 1.77 107.274 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.4 t80 -52.6 106.78 0.17 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 114.137 -1.392 . . . . 1.3300000000000001 113.307 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.697 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 mm -113.89 93.69 30.43 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 106.962 -1.495 . . . . 1.28 106.962 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.488 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 17.8 Cg_exo -30.4 115.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.546 3.498 . . . . 0.82999999999999996 114.667 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.403 ' ND2' HG22 ' B' ' 5' ' ' THR . 6.0 p-10 -72.12 82.13 0.98 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.637 0.732 . . . . 1.6399999999999999 110.198 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -51.36 -32.69 26.69 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.428 -1.26 . . . . 4.7599999999999998 112.859 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.723 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 96.3 m -54.59 -49.41 70.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.69999999999999996 111.938 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.518 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -90.79 -26.79 19.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.54000000000000004 111.425 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 78.2 mt-30 -71.62 -49.9 35.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.734 -0.212 . . . . 1.49 111.51 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -65.62 -31.66 72.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.327 -0.62 . . . . 2.52 109.327 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.982 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 11.3 tp -62.43 -63.96 1.07 Allowed 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 114.924 -1.035 . . . . 0.57999999999999996 109.749 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.725 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -60.05 -38.95 84.31 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.946 -1.024 . . . . 1.02 111.983 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.9 -82.72 0.24 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.373 -0.918 . . . . 2.1299999999999999 113.756 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.59 ' HD2' H5'' ' C' ' 15' ' ' ' DT' . 28.6 mttm -78.45 137.63 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.569 0.699 . . . . 5.0700000000000003 112.337 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.09 -9.84 12.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.271 -0.877 . . . . 7.3399999999999999 108.856 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.402 ' HA ' ' CG1' ' B' ' 24' ' ' VAL . 2.8 p -164.91 -52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.917 -1.038 . . . . 6.96 109.631 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.729 -0.653 . . . . 7.96 109.784 179.383 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C4'-C3'-C2' 102.305 -0.895 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C4'-C3'-C2' 102.298 -0.902 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.703 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.699 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.703 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 116.149 1.218 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.562 ' H73' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 N19-C1'-C2' 116.595 1.497 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.441 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.078 0.889 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.453 ' H71' ' CB ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C4'-C3'-C2' 102.262 -0.938 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.44 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.283 -0.917 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.44 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.169 0.972 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.426 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.105 0.914 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.473 " C4'" ' HG2' ' A' ' 60' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 102.3 -0.9 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.687 " H1'" " O5'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.445 1.091 0 C2'-C3'-O3' 115.21 1.708 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.725 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 109.21 1.762 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.696 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.539 1.293 0 O4'-C1'-N19 106.176 -2.03 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.59 H5'' ' HD2' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C5'-C4'-C3' 116.163 0.975 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.474 ' N6 ' ' C4 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.207 1.006 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C4'-C3'-C2' 102.414 -0.786 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.446 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 107.057 0.87 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.436 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.603 0 O4'-C1'-C2' 107.115 0.922 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.436 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-C2' 106.916 0.742 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.502 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 C4'-C3'-C2' 102.317 -0.883 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.502 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 N19-C1'-C2' 115.548 0.843 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.436 ' H71' " C2'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 N19-C1'-C2' 115.449 0.78 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 C4'-C3'-C2' 102.335 -0.865 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.281 -0.919 . . . . 2.27 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.116 0.924 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.643 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C4'-C3' 104.552 -1.048 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.719 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 116.111 0.941 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.544 ' C8 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-N19 108.669 1.086 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.544 ' H72' ' C8 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C5'-C4'-C3' 116.085 0.923 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 106.994 0.813 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.427 H2'' ' OP2' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C5'-C4'-C3' 116.156 0.971 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.427 ' OP2' H2'' ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.463 0.829 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.091 0.901 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.787 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-O3' 113.039 1.245 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.982 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 N19-C1'-C2' 116.154 1.221 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.596 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 109.504 2.13 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.433 H2'' ' OP2' ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C4'-C3'-C2' 102.297 -0.903 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.433 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 102.358 -0.842 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' D' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 107.085 0.895 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.573 0 O4'-C1'-C2' 107.145 0.95 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.479 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.131 0.938 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.512 ' C6 ' ' H72' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 106.978 0.799 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.512 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.038 0.853 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.123 0.93 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.462 0.172 . . . . 6.4100000000000001 111.27 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -83.75 -58.19 0.4 Allowed Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 120.871 -0.332 . . . . 4.7300000000000004 111.627 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 3.6 Cg_exo -76.12 98.95 1.23 Allowed 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.118 1.879 . . . . 1.3 111.965 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.753 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.7 t -69.63 136.65 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.299 -0.63 . . . . 0.54000000000000004 109.299 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.466 ' CG2' H5'' ' D' ' 13' ' ' ' DG' . 0.9 OUTLIER -105.9 167.42 9.8 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.976 0.417 . . . . 0.40999999999999998 111.239 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.801 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -65.75 -17.6 64.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.28999999999999998 110.427 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -73.81 -39.48 64.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.495 -0.558 . . . . 0.48999999999999999 109.495 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.84 -39.72 91.05 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.6 -0.727 . . . . 1.75 110.057 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.31 -40.97 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.391 -0.822 . . . . 0.22 109.726 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.23 95.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.058 -0.974 . . . . 0.29999999999999999 110.977 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.8 -37.02 76.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 2.21 111.327 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -73.44 -36.15 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.927 0.394 . . . . 1.49 111.033 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -84.19 -25.52 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.46000000000000002 111.059 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.98 32.24 15.11 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.94 -0.864 . . . . 0.52000000000000002 110.94 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.92 -170.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.159 -0.521 . . . . 0.35999999999999999 110.337 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -97.3 155.75 16.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.952 -0.759 . . . . 1.26 108.952 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.801 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -58.51 -33.4 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.79 -0.448 . . . . 1.3200000000000001 109.79 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 10.0 tp60 -65.09 -38.48 90.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.787 -0.642 . . . . 1.0900000000000001 109.569 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.1 m -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.48999999999999999 109.716 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.5 t -57.14 -51.8 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.25 110.673 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 m -59.43 -32.57 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.647 -0.251 . . . . 0.87 111.314 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HG22 ' A' ' 30' ' ' VAL . 90.6 mtt-85 -66.13 -31.06 71.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 2.0299999999999998 110.476 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' THR . 43.5 t -82.94 -42.76 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.44 110.6 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 47' ' ' TYR . 49.0 t -62.89 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 0.40999999999999998 111.096 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -83.03 -11.7 57.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.439 . . . . 1.72 111.202 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.87 51.61 10.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.607 -0.724 . . . . 4.8799999999999999 110.266 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.81 -155.32 0.44 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.227 -0.897 . . . . 2.27 111.084 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -97.64 177.98 5.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.409 -0.36 . . . . 1.52 110.629 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.756 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 5.8 m170 66.12 29.83 9.69 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.087 0.555 . . . . 0.76000000000000001 112.151 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -125.52 115.67 44.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.798 -0.361 . . . . 1.1599999999999999 111.105 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 p -80.35 150.16 29.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.972 -0.558 . . . . 1.3 109.646 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -57.16 -35.15 69.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.761 0.315 . . . . 1.0600000000000001 110.796 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -53.94 -46.14 71.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.647 -0.706 . . . . 3.3900000000000001 111.212 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.1 p -83.14 -33.13 26.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.285 -0.416 . . . . 0.65000000000000002 111.224 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -57.53 -45.94 84.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.908 0.385 . . . . 3.3100000000000001 111.129 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.3 mt-10 -68.44 -34.38 75.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.668 -0.696 . . . . 1.45 112.742 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.3 ptpt -78.9 -29.56 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.398 -0.521 . . . . 0.97999999999999998 110.982 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 20' ' ' VAL . 85.4 t -78.12 -40.41 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.883 0.373 . . . . 0.35999999999999999 110.268 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.68 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 1.5900000000000001 110.067 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -83.08 -38.79 22.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.411 -0.813 . . . . 0.52000000000000002 110.821 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.43 89.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.37 111.837 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.674 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.0 ptp -69.81 -11.36 60.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.333 -0.394 . . . . 0.39000000000000001 110.867 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.88 -22.01 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.285 0.564 . . . . 0.53000000000000003 110.13 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 9.0 mm-40 -82.24 -49.98 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.311 -0.859 . . . . 1.3600000000000001 110.365 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.0 mt -80.7 -7.36 59.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.754 -1.112 . . . . 1.8799999999999999 111.56 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 m120 60.94 51.14 4.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.671 0.748 . . . . 2.0099999999999998 109.97 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.753 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.0 t80 -65.84 132.08 47.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.78 -1.1 . . . . 1.1599999999999999 111.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.57 112.44 51.3 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 1.1599999999999999 110.451 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.05 114.15 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.436 2.091 . . . . 0.55000000000000004 110.923 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB2' H5'' ' D' ' 14' ' ' ' DC' . 47.6 m-80 -73.86 100.77 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.379 -0.373 . . . . 0.54000000000000004 111.707 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -21.16 64.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 5.04 110.766 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.736 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -76.25 -43.53 41.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.4 -0.593 . . . . 0.82999999999999996 109.4 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -70.12 -29.7 66.71 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.45000000000000001 109.246 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.542 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 39.1 tt0 -66.06 -42.49 89.38 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.333 -0.849 . . . . 1.21 109.982 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.42 -39.53 92.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 2.0099999999999998 109.674 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 9.9 tp -67.51 -54.05 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.67 -0.696 . . . . 0.51000000000000001 110.987 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.1 -41.74 97.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.48999999999999999 111.902 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.36 2.77 69.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.948 -0.644 . . . . 1.1399999999999999 112.643 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp 56.78 40.04 29.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.436 0.636 . . . . 6.3499999999999996 110.425 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -98.56 39.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.465 -0.788 . . . . 6.5 110.18 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 114.48 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.377 -0.829 . . . . 7.21 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.2 -0.905 . . . . 9.6300000000000008 110.944 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttp . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.918 0.389 . . . . 7.5 110.123 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.716 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 28.7 mmmt -76.16 -54.75 1.94 Allowed Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 4.8700000000000001 111.68 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.716 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 5.6 Cg_exo -79.07 97.1 1.1 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.336 2.024 . . . . 1.49 112.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 45' ' ' LEU . 59.1 t -93.41 134.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.884 -0.598 . . . . 0.78000000000000003 109.679 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 25.3 p -95.86 173.16 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.258 -0.428 . . . . 0.5 109.862 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.801 ' HB3' ' OP2' ' C' ' 14' ' ' ' DA' . 0.4 OUTLIER -82.47 -5.52 58.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.565 -1.272 . . . . 0.65000000000000002 107.565 179.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.835 ' HE1' " H2'" ' C' ' 13' ' ' ' DG' . 5.8 m-85 -80.65 -38.68 28.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.884 -1.507 . . . . 1.27 109.084 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.54 -39.93 95.7 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.447 -0.797 . . . . 1.3100000000000001 109.813 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.1 t -61.66 -40.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 0.28000000000000003 111.022 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -62.73 -55.44 26.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.832 -0.622 . . . . 0.37 111.914 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.17 -46.87 84.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.588 -0.733 . . . . 2.3399999999999999 111.731 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.544 ' HB3' HD21 ' B' ' 45' ' ' LEU . 39.4 t80 -63.57 -44.59 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.369 0.507 . . . . 1.5800000000000001 112.369 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.805 0.336 . . . . 0.64000000000000001 111.819 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.04 57.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.58999999999999997 111.952 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.425 HG21 HG22 ' B' ' 38' ' ' VAL . 33.5 m -107.24 167.05 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.766 -0.457 . . . . 0.5 109.766 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 97.0 p -69.66 152.43 44.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.024 -0.732 . . . . 0.64000000000000001 109.024 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.766 ' CE1' HD23 ' B' ' 6' ' ' LEU . 69.5 t80 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.623 0.725 . . . . 1.49 110.137 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' H72' ' D' ' 7' ' ' ' DT' . 0.9 OUTLIER -62.24 -38.77 90.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.061 -0.972 . . . . 0.96999999999999997 111.135 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' B' ' 23' ' ' VAL . 24.2 m -56.88 -33.75 67.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.81 -0.632 . . . . 0.54000000000000004 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' B' ' 10' ' ' ALA . 8.1 t -71.41 -56.98 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.44 110.424 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.549 ' OG ' ' H71' ' C' ' 15' ' ' ' DT' . 42.8 m -55.51 -28.37 54.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.838 0.351 . . . . 1.29 111.579 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' HG3' ' B' ' 26' ' ' GLN . 21.3 mtt180 -69.87 -48.8 57.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 2.6600000000000001 111.555 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.551 HG22 HG11 ' B' ' 30' ' ' VAL . 97.2 t -59.13 -31.28 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.653 0.74 . . . . 0.73999999999999999 110.044 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.47 -25.47 22.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.799 -1.091 . . . . 0.89000000000000001 111.344 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.431 HD21 ' P ' ' C' ' 15' ' ' ' DT' . 44.4 m-80 -125.0 -83.87 0.64 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.348 0.499 . . . . 1.6799999999999999 112.348 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.428 ' HG3' ' HG2' ' B' ' 22' ' ' ARG . 2.9 pt20 -87.7 92.47 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.516 -0.765 . . . . 4.0300000000000002 110.666 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.33 62.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.051 -0.977 . . . . 2.1499999999999999 112.103 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 7.0 m -61.59 164.69 5.67 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.749 -0.463 . . . . 1.98 109.749 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.709 ' CG ' ' H72' ' D' ' 4' ' ' ' DT' . 1.0 OUTLIER 69.63 -58.52 0.52 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 122.856 0.462 . . . . 1.3100000000000001 110.382 -177.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.551 HG11 HG22 ' B' ' 23' ' ' VAL . 39.0 t -57.58 102.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.373 0.606 . . . . 1.22 111.588 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -66.19 157.9 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 1.4199999999999999 110.395 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.28 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.191 0.441 . . . . 1.0700000000000001 112.191 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -56.71 -45.57 81.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 3.2999999999999998 111.592 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.419 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.5 OUTLIER -84.93 -30.44 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.288 -0.414 . . . . 0.79000000000000004 111.49 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.458 ' HB2' HG12 ' B' ' 30' ' ' VAL . 73.1 ttt180 -63.77 -52.23 61.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 3.21 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -64.67 -29.86 70.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 2.0899999999999999 110.779 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 7.5 tppt? -61.45 -43.56 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 1.6599999999999999 110.105 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' B' ' 20' ' ' VAL . 59.4 t -69.76 -48.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.53 -0.759 . . . . 0.42999999999999999 110.6 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.28 -40.64 82.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.017 -0.538 . . . . 1.79 111.193 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -67.15 -38.06 84.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.386 -0.37 . . . . 0.69999999999999996 110.613 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -31.87 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.018 -0.537 . . . . 0.46999999999999997 110.535 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -61.39 -23.73 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.259 0.552 . . . . 0.52000000000000002 110.159 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.46 -29.98 14.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.825 -0.625 . . . . 0.62 110.395 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 21.9 mm-40 -67.13 -56.77 8.59 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.099 -0.501 . . . . 1.55 110.661 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.7 OUTLIER -74.88 -16.68 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.98999999999999999 110.824 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 67.12 54.6 0.73 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.428 -1.323 . . . . 1.77 107.428 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.526 ' OH ' ' HB2' ' B' ' 6' ' ' LEU . 2.3 t80 -50.98 115.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.91 -1.495 . . . . 1.3300000000000001 112.799 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.49 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 32.0 mm -111.45 94.96 24.48 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 107.821 -1.178 . . . . 1.28 107.821 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -29.71 128.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 124.887 3.725 . . . . 0.82999999999999996 114.946 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.61 HD22 " H4'" ' C' ' 13' ' ' ' DG' . 11.2 m-20 -68.52 75.55 0.27 Allowed 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.173 -0.922 . . . . 1.6399999999999999 110.041 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -50.87 -28.0 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.757 0.651 . . . . 4.7599999999999998 112.757 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 77.2 m -74.28 -60.56 2.21 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.378 0.51 . . . . 0.69999999999999996 112.378 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.493 ' HB3' " H4'" ' C' ' 13' ' ' ' DG' . . . -80.46 -23.22 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.255 0.835 . . . . 0.54000000000000004 113.255 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 42.4 mt-30 -75.5 -44.85 41.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.89 0.314 . . . . 1.49 111.129 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -65.91 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.499 -0.926 . . . . 2.52 108.499 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.919 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 12.1 tp -65.97 -70.25 0.25 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.112 -1.404 . . . . 0.57999999999999996 110.527 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.754 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -57.92 -28.33 64.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.06 -0.973 . . . . 1.02 111.981 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 77.24 0.77 Allowed Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 120.845 -0.693 . . . . 2.1299999999999999 112.008 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -63.14 -30.4 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.121 0.486 . . . . 5.0700000000000003 110.347 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -99.08 57.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.5 0.667 . . . . 7.3399999999999999 109.834 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.16 52.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 6.96 110.807 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.313 -0.851 . . . . 7.96 110.56 -179.749 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O4'-C1'-C2' 107.198 0.998 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.414 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.192 -1.008 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.778 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.895 0 N19-C1'-C2' 115.716 0.948 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.778 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.756 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 N19-C1'-C2' 116.444 1.402 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.441 ' OP2' H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 102.353 -0.847 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.422 ' H72' ' C8 ' ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 C4'-C3'-C2' 102.271 -0.929 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.475 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 C4'-C3'-C2' 102.383 -0.817 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.475 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-N19 108.631 1.039 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.443 " H5'" " H1'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.288 -0.912 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.713 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C2'-C3'-O3' 115.479 1.807 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.835 " H2'" ' HE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O4'-C1'-N19 109.712 2.39 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.801 ' OP2' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.543 1.554 0 O4'-C1'-N19 106.262 -1.922 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.549 ' H71' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.606 1.007 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.434 ' OP2' H2'' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C5'-C4'-C3' 115.929 0.819 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.145 -1.055 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C4'-C3' 104.85 -0.75 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.417 " H1'" " H5'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-C2' 102.215 -0.985 . . . . 1.4199999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.952 0.774 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.451 " C2'" ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 N19-C1'-C2' 115.647 0.904 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.451 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 115.659 0.912 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 116.038 1.149 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O4'-C1'-C2' 107.018 0.835 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C4'-C3'-C2' 102.344 -0.856 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.525 " C2'" ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.189 0.99 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.709 ' H72' ' CG ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 N19-C1'-C2' 115.798 0.999 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.657 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.438 0.572 0 C4'-C3'-C2' 102.184 -1.016 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.672 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.103 -1.097 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.672 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C5'-C4'-C3' 116.338 1.092 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.449 ' H72' " C2'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.472 " C2'" ' H71' ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.312 -0.888 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.472 ' H71' " C2'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C5'-C4'-C3' 116.197 0.998 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.865 H2'' ' N7 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 C4'-C3'-O3' 112.988 1.222 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.919 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 N19-C1'-C2' 116.279 1.299 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.613 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.867 2.584 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.542 ' OP1' ' HG3' ' A' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C4'-C3'-C2' 102.348 -0.852 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.047 0.861 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.435 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C4'-C3'-C2' 102.252 -0.948 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.435 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 107.117 0.925 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.279 -0.921 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.555 ' C8 ' ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.555 ' H72' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 102.33 -0.87 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.484 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.39 -0.81 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C4'-C3' 104.88 -0.72 . . . . 1.8700000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.837 0.351 . . . . 6.4100000000000001 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -139.99 77.63 25.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.421 . . . . 4.7300000000000004 111.057 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -85.33 88.79 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.912 2.408 . . . . 1.3 111.7 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 51.9 t -72.39 133.31 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.092 -0.504 . . . . 0.54000000000000004 109.89 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -108.29 171.21 7.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.129 -0.323 . . . . 0.40999999999999998 110.129 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.888 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.3 pt? -66.72 -15.86 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.28999999999999998 110.724 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -75.33 -37.58 60.65 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.195 -0.669 . . . . 0.48999999999999999 109.195 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -66.51 -37.13 84.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.477 -0.783 . . . . 1.75 110.069 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -42.52 71.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.286 -0.87 . . . . 0.22 109.927 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.49 93.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.144 -0.935 . . . . 0.29999999999999999 111.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.07 -30.77 70.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 2.21 111.879 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 34.2 t80 -76.04 -39.69 55.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.01 0.433 . . . . 1.49 111.066 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.05 -19.8 36.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.96 -0.563 . . . . 0.46000000000000002 111.243 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.95 27.68 33.57 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.6 m -118.96 -166.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.957 -0.622 . . . . 0.35999999999999999 109.997 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' " H2'" ' C' ' 6' ' ' ' DG' . 59.9 p -102.55 158.82 15.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.175 -0.676 . . . . 1.26 109.175 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.888 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 37.0 p90 -62.2 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 1.3200000000000001 110.157 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -68.45 -33.91 75.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.784 -0.644 . . . . 1.0900000000000001 109.49 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -65.96 -41.44 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 0.48999999999999999 109.71 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 38' ' ' VAL . 70.2 t -62.65 -47.33 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 0.25 109.744 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 t -66.36 -24.36 66.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.87 109.977 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 28' ' ' SER . 8.3 tpp180 -74.55 -4.19 35.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.108 -0.951 . . . . 2.0299999999999998 110.354 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 HG11 ' A' ' 30' ' ' VAL . 91.8 t -117.04 -37.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.44 109.712 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HE2' ' A' ' 47' ' ' TYR . 42.6 t -74.51 -42.43 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.241 -0.89 . . . . 0.40999999999999998 112.687 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' HE21 ' A' ' 26' ' ' GLN . 67.2 m-80 -128.25 -45.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.424 0.898 . . . . 1.72 113.424 -177.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -90.77 68.62 6.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.379 0.133 . . . . 4.8799999999999999 111.104 -178.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.56 81.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.575 0.702 . . . . 2.27 112.094 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -175.69 168.02 3.14 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 106.701 -1.592 . . . . 1.52 106.701 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' HB3' ' C7 ' ' C' ' 5' ' ' ' DT' . 4.9 m170 58.7 26.18 14.27 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.274 0.943 . . . . 0.76000000000000001 111.201 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -125.31 125.08 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 N-CA-C 109.55 -0.537 . . . . 1.1599999999999999 109.55 179.397 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.612 -0.722 . . . . 1.3 111.108 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.02 -54.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.558 -0.292 . . . . 1.0600000000000001 111.249 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -59.1 -41.44 88.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.965 0.412 . . . . 3.3900000000000001 110.569 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.05 -45.2 89.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.63 -0.714 . . . . 0.65000000000000002 110.957 179.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 12.5 ttp180 -61.66 -34.1 75.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.138 0.494 . . . . 3.3100000000000001 110.693 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -75.13 -41.95 57.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.109 -0.496 . . . . 1.45 112.238 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 17.0 ptpt -70.96 -29.18 65.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.384 . . . . 0.97999999999999998 110.921 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 20' ' ' VAL . 56.3 t -75.55 -44.02 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.416 -0.356 . . . . 0.35999999999999999 110.74 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 9.6 mt-10 -67.24 -27.92 67.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 1.5900000000000001 110.332 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -77.65 -41.17 39.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.52000000000000002 110.61 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -64.92 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.37 111.161 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 20.5 ptp -72.23 -7.97 52.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.968 -0.56 . . . . 0.39000000000000001 111.123 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.37 -29.65 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 0.53000000000000003 110.142 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.2 mm-40 -73.27 -47.31 44.11 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.672 0.749 . . . . 1.3600000000000001 110.435 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.1 mt -85.15 -10.09 57.13 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.775 -1.102 . . . . 1.8799999999999999 111.484 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 m120 63.85 67.01 0.63 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.522 0.677 . . . . 2.0099999999999998 109.414 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB3' ' HB2' ' A' ' 42' ' ' MET . 13.5 t80 -82.11 126.4 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.022 -0.99 . . . . 1.1599999999999999 112.179 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 111.95 51.87 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.18 -0.918 . . . . 1.1599999999999999 109.988 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 131.06 30.85 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.697 2.265 . . . . 0.55000000000000004 111.998 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -81.58 123.31 28.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.54000000000000004 111.287 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -83.04 -25.65 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 5.04 110.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -41.46 59.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.82999999999999996 109.903 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.604 ' HB3' " C5'" ' D' ' 14' ' ' ' DC' . . . -66.3 -34.93 79.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.45000000000000001 109.945 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' OP1' ' D' ' 15' ' ' ' DT' . 34.0 tt0 -66.58 -34.66 78.4 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.552 -0.749 . . . . 1.21 109.591 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.9 mt-30 -70.13 -34.93 73.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.467 -0.788 . . . . 2.0099999999999998 110.442 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 ' C2 ' ' C' ' 12' ' ' ' DG' . 14.4 tp -77.12 -48.56 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.51000000000000001 111.062 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' " H5'" ' D' ' 15' ' ' ' DT' . . . -61.16 -30.18 70.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.48999999999999999 110.405 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.42 19.77 49.55 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.675 -0.693 . . . . 1.1399999999999999 112.047 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 24.9 tptp -93.9 7.6 44.37 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.145 0.498 . . . . 6.3499999999999996 110.326 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' HA ' " H4'" ' C' ' 11' ' ' ' DC' . 34.6 tt0 -50.27 124.36 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.565 -0.743 . . . . 6.5 110.752 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -79.04 65.06 4.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.293 0.568 . . . . 7.21 110.998 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.388 -0.824 . . . . 9.6300000000000008 109.889 179.757 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.41 0.148 . . . . 7.5 111.366 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 63.7 tttp -58.17 -54.43 55.78 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.761 0.282 . . . . 4.8700000000000001 111.761 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 60.6 Cg_endo -76.26 90.92 1.15 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.803 1.669 . . . . 1.49 112.117 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.5 t -82.53 133.71 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.78000000000000003 109.781 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.473 HG21 ' OP1' ' C' ' 13' ' ' ' DG' . 18.6 p -99.09 171.19 8.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.927 -0.578 . . . . 0.5 110.952 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.744 ' HB3' ' P ' ' C' ' 14' ' ' ' DA' . 0.3 OUTLIER -76.8 -11.47 59.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.102 -1.073 . . . . 0.65000000000000002 108.102 178.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HE1' " C2'" ' C' ' 13' ' ' ' DG' . 16.8 m-85 -79.41 -34.22 42.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.87 -1.513 . . . . 1.27 109.916 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -70.62 -38.77 73.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.989 -0.551 . . . . 1.3100000000000001 109.966 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.546 ' HA ' HD23 ' B' ' 45' ' ' LEU . 66.7 t -58.71 -41.85 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.389 -0.823 . . . . 0.28000000000000003 109.713 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -69.15 -46.83 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.692 -0.686 . . . . 0.37 111.388 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -47.32 76.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.592 -0.731 . . . . 2.3399999999999999 111.354 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.615 ' HB3' HD21 ' B' ' 45' ' ' LEU . 77.2 t80 -70.5 -36.33 73.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 111.894 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -75.54 -15.21 60.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.546 -0.297 . . . . 0.64000000000000001 111.762 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.13 16.01 79.4 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.82 -0.705 . . . . 0.58999999999999997 112.242 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 13' ' ' ALA . 34.4 m -111.66 163.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.242 -0.281 . . . . 0.5 110.242 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.0 p -68.51 149.54 49.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.313 -0.995 . . . . 0.64000000000000001 108.313 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' B' ' 10' ' ' ALA . 0.0 OUTLIER -58.89 -25.05 62.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.49 110.39 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.77 -25.84 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.685 . . . . 0.96999999999999997 110.51 178.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.624 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 96.7 m -64.61 -33.1 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.54000000000000004 109.333 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' B' ' 10' ' ' ALA . 3.0 t -69.13 -52.74 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.188 -1.042 . . . . 0.44 108.188 178.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.483 ' CB ' ' H73' ' C' ' 15' ' ' ' DT' . 3.3 m -50.99 -36.9 41.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 123.368 0.417 . . . . 1.29 110.985 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.993 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 47.2 mtm-85 -61.71 -47.67 84.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 2.6600000000000001 111.322 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.755 HG22 HG11 ' B' ' 30' ' ' VAL . 42.6 t -68.58 -24.17 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.599 . . . . 0.73999999999999999 110.537 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -85.87 -34.36 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.597 -0.729 . . . . 0.89000000000000001 112.271 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.532 ' HB3' ' NE2' ' B' ' 60' ' ' GLN . 11.3 p30 -146.95 -34.47 0.27 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.185 1.18 . . . . 1.6799999999999999 114.185 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.993 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 9.8 mm100 -82.57 73.95 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.046 -0.408 . . . . 4.0300000000000002 111.128 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 28' ' ' SER . . . -54.18 164.21 0.69 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.134 -0.939 . . . . 2.1499999999999999 111.686 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.694 ' O ' HG23 ' B' ' 30' ' ' VAL . 74.6 m 71.93 179.66 0.23 Allowed 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.826 -0.805 . . . . 1.98 108.826 -177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.691 ' HB3' ' C7 ' ' D' ' 4' ' ' ' DT' . 2.0 p-80 37.92 36.35 0.1 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.13 1.53 . . . . 1.3100000000000001 115.13 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.755 HG11 HG22 ' B' ' 23' ' ' VAL . 41.8 t -133.69 90.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.1 147.79 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.127 -0.942 . . . . 1.4199999999999999 111.24 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.38 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.886 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -59.99 -47.9 83.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.633 -0.258 . . . . 3.2999999999999998 111.19 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -77.65 -35.07 52.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.79000000000000004 111.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.54 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 63.2 ttm-85 -60.8 -49.73 76.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 3.21 110.579 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.905 -0.589 . . . . 2.0899999999999999 110.583 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.69 -47.04 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 1.6599999999999999 110.419 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -62.75 -49.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.42999999999999999 110.7 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.09 -36.37 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.454 -0.339 . . . . 1.79 110.705 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.45 89.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.69999999999999996 110.301 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.64 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.46999999999999997 110.595 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.9 mtt -60.42 -22.36 63.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.891 0.377 . . . . 0.52000000000000002 110.437 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.19 -29.4 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.62 110.871 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.03 -47.1 60.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.058 -0.519 . . . . 1.55 110.394 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -81.77 -18.72 43.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.637 -0.711 . . . . 0.98999999999999999 110.845 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.416 ' O ' HG12 ' B' ' 48' ' ' ILE . 5.1 t30 68.36 56.04 0.5 Allowed 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.232 -1.396 . . . . 1.77 107.232 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.6 t80 -49.27 116.21 1.62 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 113.895 -1.502 . . . . 1.3300000000000001 113.139 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.589 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 47.0 mm -118.2 93.04 44.14 Favored Pre-proline 0 N--CA 1.453 -0.292 0 N-CA-C 107.726 -1.213 . . . . 1.28 107.726 177.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -31.61 131.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.974 3.783 . . . . 0.82999999999999996 115.046 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.687 ' HB2' ' HG3' ' B' ' 54' ' ' GLN . 8.7 m120 -60.36 84.59 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.976 -1.011 . . . . 1.6399999999999999 110.227 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 18.9 mmm180 -52.97 -41.21 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.831 0.678 . . . . 4.7599999999999998 112.831 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 79.5 m -78.87 -51.51 9.6 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.577 0.584 . . . . 0.69999999999999996 112.577 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.556 ' HB1' " O4'" ' C' ' 13' ' ' ' DG' . . . -68.98 -37.22 78.63 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.353 0.872 . . . . 0.54000000000000004 113.353 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.687 ' HG3' ' HB2' ' B' ' 50' ' ' ASN . 91.5 mt-30 -72.82 -40.93 65.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.182 -0.324 . . . . 1.49 111.178 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -63.88 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.701 . . . . 2.52 109.229 178.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.997 HD21 ' C2 ' ' D' ' 13' ' ' ' DG' . 10.8 tp -74.55 -65.61 0.84 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.635 -1.166 . . . . 0.57999999999999996 110.821 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.764 ' HB1' ' H21' ' C' ' 13' ' ' ' DG' . . . -56.41 -14.52 3.05 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.425 1.078 . . . . 1.02 112.711 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.57 -63.69 0.27 Allowed Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.848 -0.691 . . . . 2.1299999999999999 112.573 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 10.2 ttpp 64.3 92.66 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.183 0.516 . . . . 5.0700000000000003 110.092 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' B' ' 25' ' ' ASN . 4.4 pp0? -49.58 146.13 4.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.252 -0.886 . . . . 7.3399999999999999 111.913 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -128.23 31.98 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.851 -0.613 . . . . 6.96 110.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.307 -0.854 . . . . 7.96 110.65 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 O4'-C1'-C2' 107.122 0.929 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.437 ' C4 ' ' N7 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.247 -0.953 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.766 ' C8 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.881 0 O4'-C1'-C2' 107.335 1.123 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.766 ' H72' ' C8 ' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.156 0.96 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.673 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O3'--C3' 1.443 0.91 0 C2'-C3'-O3' 115.043 1.646 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.556 " C2'" ' H71' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O3'-C3' 120.832 0.943 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.556 ' H71' " C2'" ' C' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.457 " H1'" " H5'" ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C4'-C3'-C2' 102.313 -0.887 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.457 " H5'" " H1'" ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.052 -1.148 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.48 ' C4 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.492 ' C5 ' ' O6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C5'-C4'-O4' 108.044 -0.848 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.653 ' C2 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O3'--C3' 1.443 0.912 0 C2'-C3'-O3' 115.391 1.774 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.764 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.615 2.269 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.744 ' P ' ' HB3' ' B' ' 6' ' ' LEU . . . . . . . . 0 C2'--C1' 1.541 1.407 0 C5'-C4'-C3' 118.033 2.222 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.483 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 116.802 1.402 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.518 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C2'-C3'-O3' 113.908 1.225 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.518 ' OP2' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.062 0.874 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.991 0.81 . . . . 1.29 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.323 -0.877 . . . . 1.4199999999999999 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.564 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C4'-C3'-C2' 102.242 -0.958 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.564 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 102.291 -0.909 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 102.385 -0.815 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 106.969 0.79 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C4'-C3'-C2' 102.27 -0.93 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.44 ' C6 ' ' C6 ' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C1'-C2' 107.217 1.015 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.044 0.858 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.691 ' C7 ' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 N19-C1'-C2' 116.704 1.565 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.486 H2'' ' OP2' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 N19-C1'-C2' 116.005 1.128 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.806 " C2'" ' H71' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.237 1.034 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.806 ' H71' " C2'" ' D' ' 6' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C5'-C4'-C3' 116.343 1.095 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C5'-C4'-C3' 116.05 0.9 . . . . 0.94999999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C4'-C3'-C2' 102.13 -1.07 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.75 1.188 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' D' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.747 H2'' ' C8 ' ' D' ' 13' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-O3' 113.162 1.301 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ' DG' . . . . . 0.997 ' C2 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 116.778 1.611 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ' DC' . . . . . 0.604 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-N19 109.777 2.472 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . 0.506 " H5'" ' HB3' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C4'-C3'-C2' 102.195 -1.005 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ' DC' . . . . . 0.438 ' OP2' H2'' ' D' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.245 -0.955 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.492 " H1'" " H5'" ' D' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.978 0.798 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.454 ' C4 ' ' N7 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 107.104 0.913 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.569 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.058 0.871 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.569 ' H71' " C2'" ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.114 0.922 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ' DT' . . . . . 0.494 ' H72' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.529 0.912 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' ' DC' . . . . . 0.434 ' OP2' H2'' ' D' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O4'-C1'-C2' 106.965 0.787 . . . . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 stop_ save_